NP-MRD: Showing NP-Card for (3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate (NP0247320)

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Record Information

Version

2.0

Created at

2022-09-07 09:07:44 UTC

Updated at

2022-09-07 09:07:44 UTC

NP-MRD ID

NP0247320

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate

Description

(3AS,6S,6aS,9R,9aS,9bR)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-9-yl acetate belongs to the class of organic compounds known as ambrosanolides and secoambrosanolides. These are sesquiterpene lactones from the Ambrosia family, with a backbone derivative of azuleno[6,5-b]furan-2-one (ambrosanolides) or azuleno[4,5-b]furan-2-one (secoambrosanolides). (3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate is found in Parthenium hysterophorus. Based on a literature review very few articles have been published on (3aS,6S,6aS,9R,9aS,9bR)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-9-yl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 48  0  0  0  0  0  0  0  0999 V2000
   -2.6056   -3.4171   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6643   -2.5992   -0.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5939   -2.8429   -1.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3693   -3.8795   -2.0021 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2264   -1.6937   -1.3803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0197   -1.0103   -0.1630 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4799   -1.2082    0.0940 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4090   -0.3413   -0.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7422    0.9638   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5919    1.8759    0.2138 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4588    2.8622   -0.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6177    3.9399   -0.5498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3742    1.2241    0.6954 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5969    2.2250    1.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6013    1.1908    1.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8238    0.3934    0.5975 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2738   -0.9038    0.8606 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5111   -1.2956    0.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704   -2.6691    0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2512   -0.4910   -0.1958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4681    0.3939   -0.1328 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7710    0.8334   -1.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3838   -3.1814    0.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6319   -4.4133   -0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5099   -1.6265    0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598   -1.1795    1.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312   -0.2530   -1.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3900   -0.9123   -0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3279    0.7443    0.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4611    1.4905   -0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9462    2.5149    1.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2615    2.4602   -1.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4781    3.3554   -0.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325    4.2021    0.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6909    0.5981    1.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1369    2.7823    2.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1374    2.8131    0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926    1.7324    2.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1322    0.5617    2.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5913    0.9737    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245   -3.1250    1.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1524   -2.5397    0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9863   -3.3062   -0.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535    1.9251   -1.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0683    0.5163   -2.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7423    0.3164   -1.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
 18 20  2  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 10  1  0
 10 11  1  0
 11 12  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  2  0
  3  2  1  0
  2  1  2  3
  6 21  1  0
 21 22  1  6
 21 16  1  0
 21 13  1  0
  2  7  1  0
 19 41  1  0
 19 42  1  0
 19 43  1  0
 16 40  1  6
 15 38  1  0
 15 39  1  0
 14 36  1  0
 14 37  1  0
 13 35  1  1
 10 31  1  1
 11 32  1  0
 11 33  1  0
 12 34  1  0
  9 29  1  0
  9 30  1  0
  8 27  1  0
  8 28  1  0
  7 26  1  1
  6 25  1  1
  1 23  1  0
  1 24  1  0
 22 44  1  0
 22 45  1  0
 22 46  1  0
M  END


  Mrv1652309072211072D          

 22 24  0  0  1  0            999 V2000
    5.6412   -1.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527   -0.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9157    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5607    0.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1204    0.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6659   -0.2370    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1803   -0.8820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9967   -1.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534   -2.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101   -1.6863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8651   -2.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9881   -3.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3265   -0.8820    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5541   -0.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3864    0.4515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6763    1.2239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1523    1.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3385    1.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422    2.6336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8409   -0.2370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2319    0.4895    0.0000 C   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  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  2  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 16 21  1  0  0  0  0
 13 21  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0247320

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@@H]1CC[C@H]2[C@@H](CO)CC[C@@H]3[C@@H](OC(=O)C3=C)[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C17H24O5/c1-9-12-5-4-11(8-18)13-6-7-14(21-10(2)19)17(13,3)15(12)22-16(9)20/h11-15,18H,1,4-8H2,2-3H3/t11-,12+,13+,14-,15-,17+/m1/s1

> <INCHI_KEY>
PZYPCUKIIHXLCC-CTMWFGIQSA-N

> <FORMULA>
C17H24O5

> <MOLECULAR_WEIGHT>
308.374

> <EXACT_MASS>
308.162373873

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
32.715523594770644

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3aS,6S,6aS,9R,9aS,9bR)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-9-yl acetate

> <JCHEM_LOGP>
1.7131180496666663

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.09754505029501

> <JCHEM_PKA_STRONGEST_BASIC>
-1.4439309554874198

> <JCHEM_POLAR_SURFACE_AREA>
72.83000000000001

> <JCHEM_REFRACTIVITY>
78.7846

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(3aS,6S,6aS,9R,9aS,9bR)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3aH-azuleno[4,5-b]furan-9-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      10.530  -1.954   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.245  -1.105   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.176   0.433   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      10.380   1.393   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       7.691   0.843   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.843  -0.442   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.803  -1.646   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.461  -3.148   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.073  -3.816   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.686  -3.148   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.482  -4.108   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       3.711  -5.631   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.343  -1.646   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.901  -1.105   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.970   0.433   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.455   0.843   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.996   2.285   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.018   3.474   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.499   3.222   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.559   4.916   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.303  -0.442   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.033   0.914   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   21                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   13                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13   10   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   16   13    6   22                                             
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
(3AS,6S,6as,9R,9as,9BR)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-9-yl acetic acid	Generator

Chemical Formula

C₁₇H₂₄O₅

Average Mass

308.3740 Da

Monoisotopic Mass

308.16237 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@@H]1CC[C@H]2[C@@H](CO)CC[C@@H]3[C@@H](OC(=O)C3=C)[C@]12C

InChI Identifier

InChI=1S/C17H24O5/c1-9-12-5-4-11(8-18)13-6-7-14(21-10(2)19)17(13,3)15(12)22-16(9)20/h11-15,18H,1,4-8H2,2-3H3/t11-,12+,13+,14-,15-,17+/m1/s1

InChI Key

PZYPCUKIIHXLCC-CTMWFGIQSA-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
Parthenium hysterophorus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ambrosanolides and secoambrosanolides. These are sesquiterpene lactones from the Ambrosia family, with a backbone derivative of azuleno[6,5-b]furan-2-one (ambrosanolides) or azuleno[4,5-b]furan-2-one (secoambrosanolides).

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Ambrosanolides and secoambrosanolides

Alternative Parents

Substituents

Ambrosanolide
Pseudoguaiane sesquiterpenoid
Sesquiterpenoid
Dicarboxylic acid or derivatives
Gamma butyrolactone
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Primary alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Organic oxygen compound
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

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

9897515

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11722799

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate (NP0247320)

MOL for NP0247320 ((3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate)

3D MOL for NP0247320 ((3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate)

3D SDF for NP0247320 ((3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate)

3D-SDF for NP0247320 ((3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate)

PDB for NP0247320 ((3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate)

3D PDB for NP0247320 ((3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate)

SMILES for NP0247320 ((3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate)

INCHI for NP0247320 ((3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate)

Structure for NP0247320 ((3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate)

3D Structure for NP0247320 ((3as,6s,6as,9r,9as,9br)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl acetate)