NP-MRD: Showing NP-Card for (1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate (NP0194034)

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Record Information

Version

2.0

Created at

2022-09-04 11:36:53 UTC

Updated at

2022-09-04 11:36:53 UTC

NP-MRD ID

NP0194034

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate

Description

(1R,2R,6R,10R,11R,13R,14R,15S)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]Pentadeca-3,8-dien-14-yl benzoate belongs to the class of organic compounds known as tigliane and ingenane diterpenoids. These are diterpenoids containing the tigliane or ingenane carbon skeleton. The tigliane skeleton is a tetracyclic ring that consists of the 4/7/6/3 ring junction. It is derived from casbane by 6,10- and 5,14-cyclizations and is a framework of phorbol. The ingenane skeleton is derived by rearrangement of tigliane. Based on a literature review very few articles have been published on (1R,2R,6R,10R,11R,13R,14R,15S)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]Pentadeca-3,8-dien-14-yl benzoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042213362D          

 38 42  0  0  1  0            999 V2000
    3.4609    3.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3956    2.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    2.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275    1.5432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6636    0.9410    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1463    0.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9032    0.1516    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3394   -0.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7067   -0.0356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 31 37  1  0  0  0  0
 37 38  1  0  0  0  0
  2 38  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309042213362D          

 38 42  0  0  1  0            999 V2000
    3.4609    3.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0773   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1007   -2.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    1.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1583    1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5254    0.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0310    1.3560    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2181    2.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8412    1.0063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3336    0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582    0.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8745    0.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5866    1.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9363    1.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795    1.6901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6263    2.4773    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
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  1  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
 23 25  1  0  0  0  0
 19 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  4 29  1  0  0  0  0
 19 29  1  0  0  0  0
 29 30  1  1  0  0  0
  5 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 37 35  1  6  0  0  0
 31 37  1  0  0  0  0
 37 38  1  0  0  0  0
  2 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0194034

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C(=O)O[C@@]12[C@H](OC(=O)C3=CC=CC=C3)[C@@H](C)[C@]3(C)[C@@H]4C=C(C)C(=O)[C@@H]4CC(C)=C[C@H]3[C@]1(C)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C33H42O5/c1-18(2)28(35)38-33-27(37-29(36)22-13-11-10-12-14-22)21(5)31(8)24-17-20(4)26(34)23(24)15-19(3)16-25(31)32(33,9)30(33,6)7/h10-14,16-18,21,23-25,27H,15H2,1-9H3/t21-,23-,24-,25-,27-,31-,32-,33-/m1/s1

> <INCHI_KEY>
YQTZYDOJRMSXRA-MIOUUXTKSA-N

> <FORMULA>
C33H42O5

> <MOLECULAR_WEIGHT>
518.694

> <EXACT_MASS>
518.303224452

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
58.48307284730999

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,6R,10R,11R,13R,14R,15S)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl benzoate

> <JCHEM_LOGP>
7.337402660666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.9203856966335575

> <JCHEM_POLAR_SURFACE_AREA>
69.67

> <JCHEM_REFRACTIVITY>
148.1663

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,6R,10R,11R,13R,14R,15S)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       6.460   6.716   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.338   5.180   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.669   4.405   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.891   2.881   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.839   1.757   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.873   0.557   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.286   0.283   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.234  -0.841   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.786  -0.067   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.233  -1.540   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       8.181  -2.664   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.681  -2.315   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       8.628  -4.138   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.128  -4.487   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.575  -5.961   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.523  -7.085   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.023  -6.736   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.575  -5.262   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.838   1.058   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      10.963   0.005   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      10.613  -1.495   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.350  -2.375   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      11.737  -2.547   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.211  -2.100   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.388  -4.047   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.891   2.182   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.496   3.598   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.181   1.341   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.391   2.531   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.741   4.031   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.304   1.879   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.356   0.665   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.909   1.191   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.632   0.329   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.962   2.730   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.748   3.677   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       4.442   3.155   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.902   4.624   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   38                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   29                                                  
CONECT    5    4    6    7   31                                             
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   19                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   13                                                       
CONECT   19    9   20   26   29                                             
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   19   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26    4   19   30                                             
CONECT   30   29                                                            
CONECT   31    5   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   31   38                                                  
CONECT   38   37    2                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

View in JSmol

Synonyms

Value	Source
(1R,2R,6R,10R,11R,13R,14R,15S)-1,4,8,11,12,12,15-Heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0,.0,]pentadeca-3,8-dien-14-yl benzoic acid	Generator

Chemical Formula

C₃₃H₄₂O₅

Average Mass

518.6940 Da

Monoisotopic Mass

518.30322 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)C(=O)O[C@@]12[C@H](OC(=O)C3=CC=CC=C3)[C@@H](C)[C@]3(C)[C@@H]4C=C(C)C(=O)[C@@H]4CC(C)=C[C@H]3[C@]1(C)C2(C)C

InChI Identifier

InChI=1S/C33H42O5/c1-18(2)28(35)38-33-27(37-29(36)22-13-11-10-12-14-22)21(5)31(8)24-17-20(4)26(34)23(24)15-19(3)16-25(31)32(33,9)30(33,6)7/h10-14,16-18,21,23-25,27H,15H2,1-9H3/t21-,23-,24-,25-,27-,31-,32-,33-/m1/s1

InChI Key

YQTZYDOJRMSXRA-MIOUUXTKSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tigliane and ingenane diterpenoids. These are diterpenoids containing the tigliane or ingenane carbon skeleton. The tigliane skeleton is a tetracyclic ring that consists of the 4/7/6/3 ring junction. It is derived from casbane by 6,10- and 5,14-cyclizations and is a framework of phorbol. The ingenane skeleton is derived by rearrangement of tigliane.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Tigliane and ingenane diterpenoids

Alternative Parents

Substituents

Tigliane diterpenoid
Benzoate ester
Benzoic acid or derivatives
Benzoyl
Benzenoid
Dicarboxylic acid or derivatives
Monocyclic benzene moiety
Ketone
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aromatic homopolycyclic compound

Molecular Framework

Aromatic 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

162817216

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate (NP0194034)

MOL for NP0194034 ((1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate)

3D MOL for NP0194034 ((1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate)

3D SDF for NP0194034 ((1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate)

3D-SDF for NP0194034 ((1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate)

PDB for NP0194034 ((1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate)

3D PDB for NP0194034 ((1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate)

SMILES for NP0194034 ((1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate)

INCHI for NP0194034 ((1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate)

Structure for NP0194034 ((1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate)

3D Structure for NP0194034 ((1r,2r,6r,10r,11r,13r,14r,15s)-1,4,8,11,12,12,15-heptamethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate)