NP-MRD: Showing NP-Card for (1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate (NP0167741)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-03 03:24:17 UTC

Updated at

2022-09-03 03:24:17 UTC

NP-MRD ID

NP0167741

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate

Description

(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-5-yl (2Z,4E)-deca-2,4-dienoate belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations. (1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate is found in Casearia arguta. Based on a literature review very few articles have been published on (1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-5-yl (2Z,4E)-deca-2,4-dienoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032205242D          

 43 45  0  0  1  0            999 V2000
  -13.0605    7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2475    7.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7196    7.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0048    8.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9066    7.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3503    8.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4797    8.6109    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.6039    7.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7416    9.3932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.5719    9.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1950   10.0112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.5016   10.9280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5954    9.9509    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.1036   10.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1247    9.0645    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3162    8.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0543    8.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6009    7.4999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2256    6.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5054    6.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7909    6.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5054    5.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7909    5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0764    5.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3619    5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6475    5.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9330    5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2185    5.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5041    5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7896    5.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4093    7.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6712    8.4466    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.9101    9.6183    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0499    9.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4931   10.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7569   11.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6842   10.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4675   10.2265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2182    9.8842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.8605   10.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7863   11.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4638   11.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0399   11.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 18 31  1  0  0  0  0
 32 31  1  1  0  0  0
  7 32  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 33 38  1  0  0  0  0
 38 39  1  0  0  0  0
 15 39  1  0  0  0  0
 39 40  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
M  END

     RDKit          3D

 91 93  0  0  0  0  0  0  0  0999 V2000
   -6.2862   -4.2311   -2.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6604   -3.1455   -1.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1905   -2.9250   -0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4216   -3.9214    0.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5416   -1.7940   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0391   -1.4909    0.9971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5423   -1.1783    1.0620 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9043   -2.4220    0.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1142   -1.1423    2.4968 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1673   -1.7304    3.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476    0.1904    3.0438 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3604    0.4098    3.0684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3951    1.3550    2.3750 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7209    1.4424    2.8418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3702    1.3382    0.8819 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4867    2.4245    0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3077    2.2206   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172    0.8688   -0.2133 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0786    0.8858   -1.3606 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4737    0.7349   -1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8961    0.5892   -0.1057 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2920    0.7599   -2.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5788    0.6287   -2.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3647    0.4418   -1.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6960    0.3151   -1.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4887    0.1243   -0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2264   -1.1959   -0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0481   -1.4304    1.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7525   -2.7502    0.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6400   -2.7028   -0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792   -0.2249   -0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1382    0.0103    0.2447 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2551    3.6716    0.6965 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2979    4.5530   -0.3779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8271    5.8557   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8570    6.8193   -1.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3602    6.1945    0.8457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5413    3.2649    1.0414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6959    1.9876    0.4369 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7210    2.0943   -0.9516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7805    1.7197   -1.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7297    1.8646   -3.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8027    1.2473   -1.1819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5364   -5.0582   -1.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6239   -4.3614   -3.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4681   -2.3759   -2.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3112   -4.5685    0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5765   -4.6155    0.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7239   -3.4922    1.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4089   -1.1049   -1.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1255   -2.3946    1.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6718   -0.7311    1.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -3.2802    0.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0206   -2.7522    1.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7058   -2.3102   -0.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2118   -1.8035    2.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7854   -1.4601    4.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1718   -2.8272    3.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1372   -1.2436    3.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0356    0.2759    4.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1365   -0.4162    3.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8953    2.2773    2.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569    2.3292    3.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3343    3.0755   -0.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9190    0.7189    0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8017    0.8993   -3.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1216    0.6623   -3.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9575    0.3942   -0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1821    0.3523   -2.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8370    0.0928    0.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2118    0.9554    0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8393   -1.2129   -1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4825   -2.0136   -0.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3889   -1.4719    1.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8103   -0.6319    1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4227   -2.9357    1.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0377   -3.5842    0.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7880   -1.6627   -0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6381   -3.1459   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1562   -3.3279   -1.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2709   -1.1253    0.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8327   -0.5202   -1.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8407    0.0147   -0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964    4.2072    1.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604    6.7200   -2.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8670    7.8387   -0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9087    6.6901   -1.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5729    1.5648    0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7225    2.0079   -3.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2151    0.9331   -3.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0181    2.6914   -3.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
 30 29  1  0
 29 28  1  0
 28 27  1  0
 27 26  1  0
 26 25  1  0
 25 24  2  0
 24 23  1  0
 23 22  2  0
 22 20  1  0
 20 21  2  0
 20 19  1  0
 19 18  1  0
 18 31  1  0
 31 32  1  0
 32 15  1  0
 15 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  2  0
 39 38  1  0
 38 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 33 16  1  0
 16 17  2  0
 15 13  1  0
 13 14  1  0
 13 11  1  0
 11 12  1  0
 11  9  1  0
  9 10  1  0
  9  7  1  0
  7  8  1  6
  7  6  1  0
  6  5  1  0
  5  3  2  0
  3  4  1  0
  3  2  1  0
  2  1  2  0
 17 18  1  0
  7 32  1  0
 15 16  1  6
 30 78  1  0
 30 79  1  0
 30 80  1  0
 29 76  1  0
 29 77  1  0
 28 74  1  0
 28 75  1  0
 27 72  1  0
 27 73  1  0
 26 70  1  0
 26 71  1  0
 25 69  1  0
 24 68  1  0
 23 67  1  0
 22 66  1  0
 18 65  1  1
 31 81  1  0
 31 82  1  0
 32 83  1  6
 39 88  1  1
 42 89  1  0
 42 90  1  0
 42 91  1  0
 33 84  1  1
 36 85  1  0
 36 86  1  0
 36 87  1  0
 17 64  1  0
 13 62  1  1
 14 63  1  0
 11 60  1  1
 12 61  1  0
  9 56  1  6
 10 57  1  0
 10 58  1  0
 10 59  1  0
  8 53  1  0
  8 54  1  0
  8 55  1  0
  6 51  1  0
  6 52  1  0
  5 50  1  0
  4 47  1  0
  4 48  1  0
  4 49  1  0
  2 46  1  0
  1 44  1  0
  1 45  1  0
M  END


  Mrv1652309032205242D          

 43 45  0  0  1  0            999 V2000
  -13.0605    7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2475    7.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7196    7.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0048    8.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9066    7.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3503    8.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4797    8.6109    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.6039    7.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7416    9.3932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.5719    9.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1950   10.0112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.5016   10.9280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5954    9.9509    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.1036   10.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1247    9.0645    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3162    8.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0543    8.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6009    7.4999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2256    6.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5054    6.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7909    6.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5054    5.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7909    5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0764    5.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3619    5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6475    5.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9330    5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2185    5.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5041    5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7896    5.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4093    7.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6712    8.4466    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.9101    9.6183    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0499    9.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4931   10.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7569   11.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6842   10.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4675   10.2265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2182    9.8842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.8605   10.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7863   11.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4638   11.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0399   11.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 18 31  1  0  0  0  0
 32 31  1  1  0  0  0
  7 32  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 33 38  1  0  0  0  0
 38 39  1  0  0  0  0
 15 39  1  0  0  0  0
 39 40  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0167741

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCC\C=C\C=C/C(=O)O[C@@H]1C[C@@H]2[C@@]3([C@H](OC(C)=O)O[C@H](OC(C)=O)C3=C1)[C@@H](O)[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C34H48O9/c1-8-10-11-12-13-14-15-16-28(37)42-25-19-26-31(40-23(5)35)43-32(41-24(6)36)34(26)27(20-25)33(7,18-17-21(3)9-2)22(4)29(38)30(34)39/h9,13-17,19,22,25,27,29-32,38-39H,2,8,10-12,18,20H2,1,3-7H3/b14-13+,16-15-,21-17+/t22-,25+,27+,29-,30+,31+,32-,33-,34-/m1/s1

> <INCHI_KEY>
SYVLIZAFBWNVCK-ULKFXHMKSA-N

> <FORMULA>
C34H48O9

> <MOLECULAR_WEIGHT>
600.749

> <EXACT_MASS>
600.329833126

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
91

> <JCHEM_AVERAGE_POLARIZABILITY>
65.68361080103988

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[1,8a-c]furan-5-yl (2Z,4E)-deca-2,4-dienoate

> <ALOGPS_LOGP>
4.84

> <JCHEM_LOGP>
5.496429210333334

> <ALOGPS_LOGS>
-5.50

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.886053552081368

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.370924120457055

> <JCHEM_PKA_STRONGEST_BASIC>
-3.27232386547211

> <JCHEM_POLAR_SURFACE_AREA>
128.59

> <JCHEM_REFRACTIVITY>
164.30860000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.88e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6aH,8H,9H,10H-naphtho[1,8a-c]furan-5-yl (2Z,4E)-deca-2,4-dienoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0     -24.380  13.658   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -22.862  13.396   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -21.877  14.580   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -22.409  16.025   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -20.359  14.318   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -19.321  15.566   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -17.695  16.074   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -17.927  14.461   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -18.184  17.534   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -19.734  18.038   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -17.164  18.688   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0     -17.736  20.399   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0     -16.045  18.575   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0     -15.127  20.073   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0     -15.166  16.920   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -13.657  16.614   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -13.168  15.153   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -14.188  14.000   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0     -13.488  12.506   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0     -12.143  11.729   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0     -10.810  12.499   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0     -12.143  10.189   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -10.810   9.419   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -9.476  10.189   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -8.142   9.419   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -6.809  10.189   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.475   9.419   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.141  10.189   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.808   9.419   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.474  10.189   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -15.697  14.307   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -16.186  15.767   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -12.899  17.954   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0     -11.293  18.178   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0     -10.254  19.359   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -10.746  20.818   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -8.744  19.056   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0     -13.939  19.089   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0     -15.341  18.451   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0     -16.540  19.828   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0     -16.401  21.480   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0     -17.666  22.359   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0     -15.008  22.136   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   32                                             
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   32   39                                             
CONECT   16   15   17   33                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   31                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   18   32                                                       
CONECT   32   31    7   15                                                  
CONECT   33   16   34   38                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   33   39                                                       
CONECT   39   38   15   40                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   90    0
END

View in JSmol

Synonyms

Value	Source
(1S,3R,5R,6AS,7S,8S,9R,10R,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6ah,7H,8H,9H,10H-naphtho[4,4a-c]furan-5-yl (2Z,4E)-deca-2,4-dienoic acid	Generator

Chemical Formula

C₃₄H₄₈O₉

Average Mass

600.7490 Da

Monoisotopic Mass

600.32983 Da

IUPAC Name

(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[1,8a-c]furan-5-yl (2Z,4E)-deca-2,4-dienoate

Traditional Name

(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6aH,8H,9H,10H-naphtho[1,8a-c]furan-5-yl (2Z,4E)-deca-2,4-dienoate

CAS Registry Number

Not Available

SMILES

CCCCC\C=C\C=C/C(=O)O[C@@H]1C[C@@H]2[C@@]3([C@H](OC(C)=O)O[C@H](OC(C)=O)C3=C1)[C@@H](O)[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C

InChI Identifier

InChI=1S/C34H48O9/c1-8-10-11-12-13-14-15-16-28(37)42-25-19-26-31(40-23(5)35)43-32(41-24(6)36)34(26)27(20-25)33(7,18-17-21(3)9-2)22(4)29(38)30(34)39/h9,13-17,19,22,25,27,29-32,38-39H,2,8,10-12,18,20H2,1,3-7H3/b14-13+,16-15-,21-17+/t22-,25+,27+,29-,30+,31+,32-,33-,34-/m1/s1

InChI Key

SYVLIZAFBWNVCK-ULKFXHMKSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Casearia arguta	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Colensane and clerodane diterpenoids

Alternative Parents

Substituents

Clerodane diterpenoid
Naphthofuran
Tricarboxylic acid or derivatives
Fatty acid ester
Fatty acyl
Cyclic alcohol
Tetrahydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
1,2-diol
Carboxylic acid ester
Secondary alcohol
Acetal
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.84	ALOGPS
logP	5.5	ChemAxon
logS	-5.5	ALOGPS
pKa (Strongest Acidic)	13.37	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	128.59 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	164.31 m³·mol⁻¹	ChemAxon
Polarizability	65.68 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

50907130

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate (NP0167741)

MOL for NP0167741 ((1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate)

3D MOL for NP0167741 ((1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate)

3D SDF for NP0167741 ((1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate)

3D-SDF for NP0167741 ((1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate)

PDB for NP0167741 ((1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate)

3D PDB for NP0167741 ((1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate)

SMILES for NP0167741 ((1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate)

INCHI for NP0167741 ((1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate)

Structure for NP0167741 ((1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate)

3D Structure for NP0167741 ((1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-9,10-dihydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4e)-deca-2,4-dienoate)