NP-MRD: Showing NP-Card for (2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid (NP0275083)

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Record Information

Version

2.0

Created at

2022-09-08 22:42:29 UTC

Updated at

2022-09-08 22:42:29 UTC

NP-MRD ID

NP0275083

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid

Description

(5R,6S)-5-(acetyloxy)-2-methyl-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]Octadecan-15-yl]hept-2-enoic acid belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety. (2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid is found in Kadsura heteroclita. Based on a literature review very few articles have been published on (5R,6S)-5-(acetyloxy)-2-methyl-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]Octadecan-15-yl]hept-2-enoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092200422D          

 37 41  0  0  1  0            999 V2000
    8.4601    2.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6555    3.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 37  1  1  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309092200422D          

 37 41  0  0  1  0            999 V2000
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    4.1995    0.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850    1.3097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3047    0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926    0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9608    1.0193    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1486    0.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4327    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352    0.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6168    1.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953    1.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971    2.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092    2.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411    1.7952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5214    2.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0532    1.9404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3335    2.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1456    2.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6774    2.2309    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0373    2.9732    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
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  6  0  0  0
 15 13  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  1  0  0  0
 33 32  1  1  0  0  0
 20 33  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 15 36  1  0  0  0  0
 18 36  1  0  0  0  0
 36 37  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0275083

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]([C@@H](C\C=C(\C)C(O)=O)OC(C)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C32H48O5/c1-19(27(35)36)8-9-23(37-21(3)33)20(2)22-12-14-30(7)25-11-10-24-28(4,5)26(34)13-15-31(24)18-32(25,31)17-16-29(22,30)6/h8,20,22-25H,9-18H2,1-7H3,(H,35,36)/b19-8-/t20-,22+,23+,24-,25-,29+,30-,31+,32-/m0/s1

> <INCHI_KEY>
MKKFLSRJYVTGTF-YXNMNHKCSA-N

> <FORMULA>
C32H48O5

> <MOLECULAR_WEIGHT>
512.731

> <EXACT_MASS>
512.350174646

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
59.17962660690094

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2Z,5R,6S)-5-(acetyloxy)-2-methyl-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-15-yl]hept-2-enoic acid

> <JCHEM_LOGP>
6.435243297333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
19.881773636463922

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.530806522123224

> <JCHEM_PKA_STRONGEST_BASIC>
-6.876380799705378

> <JCHEM_POLAR_SURFACE_AREA>
80.67000000000002

> <JCHEM_REFRACTIVITY>
143.67209999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2Z,5R,6S)-5-(acetyloxy)-2-methyl-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-15-yl]hept-2-enoic acid

> <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      15.792   4.698   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.847   3.482   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      15.427   2.056   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      13.321   3.693   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      12.741   5.119   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.686   6.335   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.212   6.125   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      16.157   7.340   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      17.683   7.130   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      15.577   8.767   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      16.522   9.983   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      14.051   8.977   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      11.216   5.330   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.635   6.757   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.270   4.114   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.698   2.635   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.424   1.771   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.208   2.716   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.839   1.221   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.692   2.445   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.169   0.996   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.653   0.725   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.660   1.903   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.144   1.632   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.674   0.186   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.812   0.858   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.151   2.809   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -0.365   2.538   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       1.675   4.257   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.191   4.528   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.183   3.351   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.707   4.799   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.699   3.622   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.222   5.071   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.738   5.342   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.731   4.164   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.403   5.550   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   13                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    5   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   36                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   36                                             
CONECT   19   18                                                            
CONECT   20   18   21   33                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   31                                                  
CONECT   24   23   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   23   32   33                                             
CONECT   32   31   33                                                       
CONECT   33   32   20   31   34                                             
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   15   18   37                                             
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Value	Source
(5R,6S)-5-(Acetyloxy)-2-methyl-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0,.0,.0,]octadecan-15-yl]hept-2-enoate	Generator

Chemical Formula

C₃₂H₄₈O₅

Average Mass

512.7310 Da

Monoisotopic Mass

512.35017 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]([C@@H](C\C=C(\C)C(O)=O)OC(C)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C

InChI Identifier

InChI=1S/C32H48O5/c1-19(27(35)36)8-9-23(37-21(3)33)20(2)22-12-14-30(7)25-11-10-24-28(4,5)26(34)13-15-31(24)18-32(25,31)17-16-29(22,30)6/h8,20,22-25H,9-18H2,1-7H3,(H,35,36)/b19-8-/t20-,22+,23+,24-,25-,29+,30-,31+,32-/m0/s1

InChI Key

MKKFLSRJYVTGTF-YXNMNHKCSA-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
Kadsura heteroclita	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Cycloartanols and derivatives

Direct Parent

Cycloartanols and derivatives

Alternative Parents

Substituents

Cycloartanol-skeleton
9b,19-cyclo-lanostane-skeleton
Cycloartane-skeleton
Triterpenoid
Bile acid, alcohol, or derivatives
Steroid ester
Steroid acid
3-oxosteroid
Oxosteroid
3-oxo-5-alpha-steroid
Medium-chain fatty acid
Fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Unsaturated fatty acid
Cyclic ketone
Ketone
Carboxylic acid ester
Carboxylic acid
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
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

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

163018363

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid (NP0275083)

MOL for NP0275083 ((2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid)

3D MOL for NP0275083 ((2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid)

3D SDF for NP0275083 ((2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid)

3D-SDF for NP0275083 ((2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid)

PDB for NP0275083 ((2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid)

3D PDB for NP0275083 ((2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid)

SMILES for NP0275083 ((2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid)

INCHI for NP0275083 ((2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid)

Structure for NP0275083 ((2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid)

3D Structure for NP0275083 ((2z,5r,6s)-5-(acetyloxy)-2-methyl-6-[(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid)