NP-MRD: Showing NP-Card for (1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione (NP0284956)

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Record Information

Version

2.0

Created at

2022-09-09 12:54:14 UTC

Updated at

2022-09-09 12:54:14 UTC

NP-MRD ID

NP0284956

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione

Description

(1S,3R,6R,7R,10R,11R)-6-[(2R,3E,5S)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]Octadec-15-ene-14,17-dione belongs to the class of organic compounds known as ergostane steroids. These are steroids with a structure based on the ergostane skeleton, which arises from the methylation of cholestane at the 24-position. Based on a literature review very few articles have been published on (1S,3R,6R,7R,10R,11R)-6-[(2R,3E,5S)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]Octadec-15-ene-14,17-dione.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309092214542D          

 31 35  0  0  1  0            999 V2000
   -2.6550   -0.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8378   -0.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3314    0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5269   -0.9134    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0332   -1.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7096   -1.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3987   -1.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4185   -1.9033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7294   -2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249   -1.2520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6955   -0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0297   -0.5029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3100    0.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418   -0.3577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1221    0.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2146    1.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661   -0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782    0.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -0.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6221   -0.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5297   -1.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7176   -1.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1858   -0.8432    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9055   -1.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3737   -0.9884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0934   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2812   -1.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494   -1.2788    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3895   -2.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
 10  8  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 15 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 10 30  1  0  0  0  0
 13 30  1  0  0  0  0
 30 31  1  1  0  0  0
M  END


  Mrv1652309092214542D          

 31 35  0  0  1  0            999 V2000
   -2.6550   -0.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8378   -0.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3314    0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5269   -0.9134    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0332   -1.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7096   -1.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3987   -1.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4185   -1.9033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7294   -2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249   -1.2520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6955   -0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0297   -0.5029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3100    0.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418   -0.3577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1221    0.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2146    1.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661   -0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782    0.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -0.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6221   -0.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5297   -1.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7176   -1.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1858   -0.8432    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9055   -1.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3737   -0.9884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0934   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2812   -1.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494   -1.2788    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3895   -2.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
 10  8  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 15 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 10 30  1  0  0  0  0
 13 30  1  0  0  0  0
 30 31  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0284956

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CC[C@]23O[C@]22CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]2CC[C@]13C

> <INCHI_IDENTIFIER>
InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)21-10-14-28-26(21,6)13-11-24-25(5)12-9-20(29)15-22(25)23(30)16-27(24,28)31-28/h7-8,15,17-19,21,24H,9-14,16H2,1-6H3/b8-7+/t18-,19-,21-,24-,25+,26-,27+,28-/m1/s1

> <INCHI_KEY>
DJVSRKXHTYPLOV-GRJJHXMQSA-N

> <FORMULA>
C28H40O3

> <MOLECULAR_WEIGHT>
424.625

> <EXACT_MASS>
424.297745148

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
50.531891604912246

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3R,6R,7R,10R,11R)-6-[(2R,3E,5S)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0^{1,3}.0^{3,7}.0^{11,16}]octadec-15-ene-14,17-dione

> <JCHEM_LOGP>
6.170821749333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.40558761032626

> <JCHEM_PKA_STRONGEST_BASIC>
-4.258192977851671

> <JCHEM_POLAR_SURFACE_AREA>
46.67

> <JCHEM_REFRACTIVITY>
125.08459999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,6R,7R,10R,11R)-6-[(2R,3E,5S)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0^{1,3}.0^{3,7}.0^{11,16}]octadec-15-ene-14,17-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.956  -0.068   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.431  -0.279   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.485   0.937   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.850  -1.705   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.795  -2.921   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.325  -1.916   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.744  -3.342   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.781  -3.553   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.362  -4.979   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.726  -2.337   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.298  -0.858   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.573   0.006   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.789  -0.939   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.312   0.510   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       5.305  -0.668   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.828   0.781   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.344   1.052   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.867   2.500   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.337  -0.126   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.853   0.146   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.845  -1.032   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      12.361  -0.761   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      10.322  -2.480   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.806  -2.751   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.813  -1.574   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.290  -3.022   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.297  -1.845   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.774  -3.293   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.258  -3.564   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.266  -2.387   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.594  -3.773   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   30                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   30                                             
CONECT   14   13   15                                                       
CONECT   15   14   13   16   27                                             
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   19   26   27                                             
CONECT   26   25                                                            
CONECT   27   25   15   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   10   13   31                                             
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   70    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₀O₃

Average Mass

424.6250 Da

Monoisotopic Mass

424.29775 Da

IUPAC Name

(1S,3R,6R,7R,10R,11R)-6-[(2R,3E,5S)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0^{1,3}.0^{3,7}.0^{11,16}]octadec-15-ene-14,17-dione

Traditional Name

(1S,3R,6R,7R,10R,11R)-6-[(2R,3E,5S)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0^{1,3}.0^{3,7}.0^{11,16}]octadec-15-ene-14,17-dione

CAS Registry Number

Not Available

SMILES

CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CC[C@]23O[C@]22CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]2CC[C@]13C

InChI Identifier

InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)21-10-14-28-26(21,6)13-11-24-25(5)12-9-20(29)15-22(25)23(30)16-27(24,28)31-28/h7-8,15,17-19,21,24H,9-14,16H2,1-6H3/b8-7+/t18-,19-,21-,24-,25+,26-,27+,28-/m1/s1

InChI Key

DJVSRKXHTYPLOV-GRJJHXMQSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ergostane steroids. These are steroids with a structure based on the ergostane skeleton, which arises from the methylation of cholestane at the 24-position.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Ergostane steroids

Direct Parent

Ergostane steroids

Alternative Parents

Substituents

Ergostane-skeleton
Cyclohexenone
Oxepane
Cyclic ketone
Ketone
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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	6.17	ChemAxon
pKa (Strongest Acidic)	16.41	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	46.67 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	125.08 m³·mol⁻¹	ChemAxon
Polarizability	50.53 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	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

162971743

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 (1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione (NP0284956)

MOL for NP0284956 ((1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione)

3D MOL for NP0284956 ((1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione)

3D SDF for NP0284956 ((1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione)

3D-SDF for NP0284956 ((1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione)

PDB for NP0284956 ((1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione)

3D PDB for NP0284956 ((1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione)

SMILES for NP0284956 ((1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione)

INCHI for NP0284956 ((1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione)

Structure for NP0284956 ((1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione)

3D Structure for NP0284956 ((1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione)