NP-MRD: Showing NP-Card for 3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol (NP0066414)

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Record Information

Version

2.0

Created at

2022-04-28 10:40:37 UTC

Updated at

2022-04-28 10:40:37 UTC

NP-MRD ID

NP0066414

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol

Description

(2S)-4-{[(2S,4R,5R,7R,11S,14R,15R,16S)-5-(acetyloxy)-16-hydroxy-14-[(2S,3R,6S)-2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-1(10)-en-4-yl]oxy}-2-hydroxy-2-methyl-4-oxobutanoic acid belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. 3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol is found in Hebeloma crustuliniforme, Hebeloma sinapizans and Hebeloma spoliatum. Based on a literature review very few articles have been published on (2S)-4-{[(2S,4R,5R,7R,11S,14R,15R,16S)-5-(acetyloxy)-16-hydroxy-14-[(2S,3R,6S)-2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-1(10)-en-4-yl]oxy}-2-hydroxy-2-methyl-4-oxobutanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

106110  0  0  0  0  0  0  0  0999 V2000
   -7.8695   -2.3721   -1.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4651   -1.8466   -1.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9677   -1.3057   -2.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6922   -1.9831   -0.3302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3754   -1.5633   -0.1891 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1458   -0.5115    0.8480 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0956    0.5049    0.6415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9702    0.9107    1.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9023    0.3397    2.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9870    1.9667    1.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9922    2.5692    0.0913 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2881    1.4550   -0.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7798    3.1829   -0.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0901    3.5734    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2835    3.2539    0.2077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8050    4.8951   -0.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7648    0.0529    0.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6863   -1.0012    0.7142 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4463   -1.4151    2.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4133   -0.4097    0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -1.0899   -0.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2316   -2.5108   -0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9480   -3.1613   -0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -2.1351   -0.2100 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4021   -2.7024    0.0084 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5880   -3.4629    1.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6477   -3.6696   -1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096   -0.2643   -1.3068 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8455    0.8800   -2.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646   -1.0013   -2.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5953   -0.1115   -2.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4428    0.7628   -0.8782 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6939    1.0699   -0.1679 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4824   -0.0254    0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9790    0.1763    0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2994    1.5931    0.5307 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7870    1.8455    0.5727 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4014    1.8211   -0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4532    0.8063    1.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0181    3.1166    1.0895 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6181    2.4858   -0.2522 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6411    1.9106   -1.0431 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8557    2.9786   -1.5369 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3189    0.1651   -0.1379 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6001   -1.0444    0.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5198    1.1181    0.7026 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8270    2.4621    0.4072 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0400    0.9409    0.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4075   -1.8445   -0.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3648   -2.2303   -2.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8483   -3.4878   -1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0835   -1.0953   -1.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583   -0.8721    1.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0142    1.5703    1.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7818    2.7832    2.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6686    0.5638   -0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3079    1.2061   -1.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9997    1.8062   -1.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2538    2.5863   -0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9115    5.6450    0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7339    0.6737   -0.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5905    0.7026    1.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643   -1.3024    2.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9639   -2.3940    2.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7292   -0.6716    2.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1160   -3.1264   -0.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0748   -2.5913   -2.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6871   -3.6430    0.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -3.9754   -0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0706   -1.6642   -1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3132   -4.2935    1.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0256   -2.8883    2.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6351   -3.9588    1.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7399   -3.7013   -1.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0912   -3.3301   -2.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2477   -4.6591   -0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0986    1.8807   -1.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460    0.8491   -3.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2729    0.7154   -2.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9509   -1.0373   -3.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5705   -2.0361   -1.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4915   -0.7479   -2.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    0.4646   -3.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0649    1.7528   -1.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123    1.8114    0.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1817   -1.0572    0.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4466    0.0391    1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5301   -0.5644    0.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2142    0.0691   -0.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    1.7021    1.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5067    1.8307   -0.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1252    2.7388   -1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1681    0.8971   -1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9255    0.6176    2.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248   -0.1556    0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4907    1.1350    1.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3676    3.0749    2.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9943    1.3673   -1.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6527    2.8843   -2.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9871   -1.9163    0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341   -1.3864    1.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2547   -0.8523    1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8804    0.9883    1.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9977    3.0081    0.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3606    1.1220    1.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861    1.7469    0.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6 17  1  0
 17 18  1  0
 18 19  1  1
 18 24  1  0
 24 23  1  0
 23 22  1  0
 22 21  1  0
 21 20  2  0
 20 48  1  0
 48 46  1  0
 46 47  1  0
 46 44  1  0
 44 45  1  1
 44 32  1  0
 32 31  1  0
 31 30  1  0
 30 28  1  0
 28 29  1  6
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 41  1  0
 41 42  1  0
 42 43  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  1
 24 25  1  0
 25 26  1  1
 25 27  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  6
 11 14  1  0
 14 16  1  0
 14 15  2  0
 25  5  1  0
 20 18  1  0
 28 44  1  0
 42 33  1  0
 28 21  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  5 52  1  6
  6 53  1  1
 17 61  1  0
 17 62  1  0
 19 63  1  0
 19 64  1  0
 19 65  1  0
 24 70  1  6
 23 68  1  0
 23 69  1  0
 22 66  1  0
 22 67  1  0
 48105  1  0
 48106  1  0
 46103  1  1
 47104  1  0
 45100  1  0
 45101  1  0
 45102  1  0
 32 84  1  6
 31 82  1  0
 31 83  1  0
 30 80  1  0
 30 81  1  0
 29 77  1  0
 29 78  1  0
 29 79  1  0
 33 85  1  1
 34 86  1  0
 34 87  1  0
 35 88  1  0
 35 89  1  0
 36 90  1  1
 42 98  1  6
 43 99  1  0
 38 91  1  0
 38 92  1  0
 38 93  1  0
 39 94  1  0
 39 95  1  0
 39 96  1  0
 40 97  1  0
 26 71  1  0
 26 72  1  0
 26 73  1  0
 27 74  1  0
 27 75  1  0
 27 76  1  0
 10 54  1  0
 10 55  1  0
 12 56  1  0
 12 57  1  0
 12 58  1  0
 13 59  1  0
 16 60  1  0
M  END

View in JSmol

Synonyms

Value	Source
(2S)-4-{[(2S,4R,5R,7R,11S,14R,15R,16S)-5-(acetyloxy)-16-hydroxy-14-[(2S,3R,6S)-2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0,.0,]heptadec-1(10)-en-4-yl]oxy}-2-hydroxy-2-methyl-4-oxobutanoate	Generator

Chemical Formula

C₃₇H₅₈O₁₁

Average Mass

678.8600 Da

Monoisotopic Mass

678.39791 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@H]1[C@@H](C[C@@]2(C)[C@@H](CCC3=C2C[C@H](O)[C@]2(C)[C@H](CC[C@@]32C)[C@H]2CC[C@H](O[C@@H]2O)C(C)(C)O)C1(C)C)OC(=O)C[C@](C)(O)C(O)=O

InChI Identifier

InChI=1S/C37H58O11/c1-19(38)46-29-24(47-28(40)18-36(8,45)31(42)43)17-34(6)23-16-26(39)37(9)21(20-10-13-27(33(4,5)44)48-30(20)41)14-15-35(37,7)22(23)11-12-25(34)32(29,2)3/h20-21,24-27,29-30,39,41,44-45H,10-18H2,1-9H3,(H,42,43)/t20-,21-,24-,25+,26+,27+,29+,30+,34-,35+,36+,37+/m1/s1

InChI Key

FEDSJMADTSLWLE-QSBBJZLXSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Hebeloma crustuliniforme	Fungi	KNApSAcK
Hebeloma sinapizans	Fungi	KNApSAcK
Hebeloma spoliatum	Fungi	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Steroid ester
14-alpha-methylsteroid
Hydroxysteroid
12-hydroxysteroid
Steroid
Tricarboxylic acid or derivatives
Fatty acid ester
Fatty acyl
Oxane
Hydroxy acid
Alpha-hydroxy acid
Tertiary alcohol
Secondary alcohol
Hemiacetal
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen 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	3.45	ALOGPS
logP	3.01	ChemAxon
logS	-5.2	ALOGPS
pKa (Strongest Acidic)	3.52	ChemAxon
pKa (Strongest Basic)	-0.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	180.05 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	174.44 m³·mol⁻¹	ChemAxon
Polarizability	74.39 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	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

163103956

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol (NP0066414)

MOL for NP0066414 (3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol)

3D MOL for NP0066414 (3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol)

3D SDF for NP0066414 (3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol)

3D-SDF for NP0066414 (3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol)

PDB for NP0066414 (3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol)

3D PDB for NP0066414 (3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol)

SMILES for NP0066414 (3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol)

INCHI for NP0066414 (3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol)

Structure for NP0066414 (3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol)

3D Structure for NP0066414 (3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol)