NP-MRD: Showing NP-Card for [(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate (NP0216669)

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Record Information

Version

2.0

Created at

2022-09-05 16:43:42 UTC

Updated at

2022-09-05 16:43:42 UTC

NP-MRD ID

NP0216669

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate

Description

(9S)-Africanane-9,15-diol 15-acetate belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. [(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate is found in Sinularia molesta. Based on a literature review very few articles have been published on (9s)-Africanane-9,15-diol 15-acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 50  0  0  0  0  0  0  0  0999 V2000
    5.8652    0.5993   -1.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4616    0.0670   -1.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2945   -1.1381   -1.2810 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4459    0.8931   -0.8279 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965    0.7678   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242    0.1000    0.5009 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9472    0.7559    1.6616 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6873   -1.3686    0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7530   -1.8884   -0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.9799   -0.3654 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0142    0.1714    0.4951 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5347    1.4162   -0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0168    1.5251    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7078    1.6225   -1.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2613    2.9131    0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6783    0.5888    0.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7444   -0.8392    0.6936 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9156   -1.5142   -0.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6386   -1.6241    0.2512 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4473   -3.0114    0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2706    0.2654   -2.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8631    1.7123   -1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185    0.1584   -0.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6562    1.7922   -0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7295    0.2242   -1.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    0.1654    2.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7001   -1.6953    0.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3191   -1.7264    1.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.7595   -1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5267   -2.9515   -0.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6389   -0.6373   -1.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.0580    1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3075    1.3839   -1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340    2.2770    0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0485    1.1794   -2.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7157    1.2143   -1.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8169    2.6970   -1.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0618    3.7164   -0.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    3.0045    1.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2934    2.9697    1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2612    0.7698    1.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7438    0.9726    1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4119   -1.3203    1.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8491   -1.0047   -1.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5295   -2.4588   -0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -2.9873    1.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2779   -3.7798    0.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327   -3.2964    1.3661 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  7  1  1
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  1
 11  6  1  0
 19 17  1  0
 19 10  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  5 24  1  0
  5 25  1  0
  7 26  1  0
  8 27  1  0
  8 28  1  0
  9 29  1  0
  9 30  1  0
 10 31  1  6
 11 32  1  1
 12 33  1  0
 12 34  1  0
 14 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
 17 43  1  1
 18 44  1  0
 18 45  1  0
 20 46  1  0
 20 47  1  0
 20 48  1  0
M  END


  Mrv1652309052218432D          

 20 22  0  0  1  0            999 V2000
    6.7727    1.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3932    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8379   -0.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5691    0.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1896   -0.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3654   -0.5078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4890   -1.3235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6460    0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1225   -0.0210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5671   -0.7159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3011   -1.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5246   -1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9693   -2.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9461   -2.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8225   -1.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7234   -0.5236    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5033    0.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3019    0.0646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4486    0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 17 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0216669

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC[C@]1(O)CC[C@@H]2[C@@H]1CC(C)(C)C[C@H]1C[C@@]21C

> <INCHI_IDENTIFIER>
InChI=1S/C17H28O3/c1-11(18)20-10-17(19)6-5-13-14(17)9-15(2,3)7-12-8-16(12,13)4/h12-14,19H,5-10H2,1-4H3/t12-,13+,14-,16+,17+/m0/s1

> <INCHI_KEY>
ZGJFNBIKZCBSCT-IUKJFTNHSA-N

> <FORMULA>
C17H28O3

> <MOLECULAR_WEIGHT>
280.408

> <EXACT_MASS>
280.203844762

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
32.47974624812761

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[(1aR,1bR,4S,4aS,7aS)-4-hydroxy-1a,6,6-trimethyl-decahydro-1H-cyclopropa[e]azulen-4-yl]methyl acetate

> <JCHEM_LOGP>
2.5857458863333322

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.760650876187885

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3408913067554185

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
77.22169999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(1aR,1bR,4S,4aS,7aS)-4-hydroxy-1a,6,6-trimethyl-octahydrocyclopropa[e]azulen-4-yl]methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      12.642   1.927   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.934   0.560   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      12.764  -0.737   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      10.396   0.490   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       9.687  -0.878   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.149  -0.948   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       8.379  -2.471   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       8.240   0.589   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.806   1.151   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.829  -0.039   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.659  -1.336   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.162  -2.794   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.713  -3.315   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.543  -4.612   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.633  -4.413   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.402  -2.506   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.217  -0.977   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.806   0.507   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.297   0.121   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.571   1.636   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8   11                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   19                                                  
CONECT   11   10    6   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17   19                                                       
CONECT   19   18   17   10   20                                             
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

View in JSmol

Synonyms

Value	Source
(9S)-Africanane-9,15-diol 15-acetic acid	Generator

Chemical Formula

C₁₇H₂₈O₃

Average Mass

280.4080 Da

Monoisotopic Mass

280.20384 Da

IUPAC Name

[(1aR,1bR,4S,4aS,7aS)-4-hydroxy-1a,6,6-trimethyl-decahydro-1H-cyclopropa[e]azulen-4-yl]methyl acetate

Traditional Name

[(1aR,1bR,4S,4aS,7aS)-4-hydroxy-1a,6,6-trimethyl-octahydrocyclopropa[e]azulen-4-yl]methyl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OC[C@]1(O)CC[C@@H]2[C@@H]1CC(C)(C)C[C@H]1C[C@@]21C

InChI Identifier

InChI=1S/C17H28O3/c1-11(18)20-10-17(19)6-5-13-14(17)9-15(2,3)7-12-8-16(12,13)4/h12-14,19H,5-10H2,1-4H3/t12-,13+,14-,16+,17+/m0/s1

InChI Key

ZGJFNBIKZCBSCT-IUKJFTNHSA-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
Sinularia molesta	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Africanane sesquiterpenoid
Sesquiterpenoid
Tertiary alcohol
Cyclic alcohol
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	2.59	ChemAxon
pKa (Strongest Acidic)	13.76	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	77.22 m³·mol⁻¹	ChemAxon
Polarizability	32.48 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

10278719

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

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PubChem Compound

21670085

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for [(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate (NP0216669)

MOL for NP0216669 ([(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate)

3D MOL for NP0216669 ([(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate)

3D SDF for NP0216669 ([(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate)

3D-SDF for NP0216669 ([(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate)

PDB for NP0216669 ([(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate)

3D PDB for NP0216669 ([(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate)

SMILES for NP0216669 ([(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate)

INCHI for NP0216669 ([(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate)

Structure for NP0216669 ([(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate)

3D Structure for NP0216669 ([(1as,4as,5s,7ar,7br)-5-hydroxy-3,3,7b-trimethyl-octahydrocyclopropa[e]azulen-5-yl]methyl acetate)