NP-MRD: Showing NP-Card for 13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate (NP0233385)

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Record Information

Version

2.0

Created at

2022-09-06 14:57:54 UTC

Updated at

2022-09-06 14:57:54 UTC

NP-MRD ID

NP0233385

Secondary Accession Numbers

None

Natural Product Identification

Common Name

13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate

Description

13-(Acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]Octadec-6-en-11-yl benzoate belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. 13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate is found in Taxus sumatrana. 13-(Acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]Octadec-6-en-11-yl benzoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004261504542D          

 39 44  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1533004261504542D          

 39 44  0  0  0  0            999 V2000
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    3.5659   -4.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7634   -4.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1965   -4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321   -3.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9416   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7912   -2.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5338   -2.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7673   -1.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2313   -2.9027    0.0000 O   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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  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
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 25 35  1  0  0  0  0
  5 35  1  0  0  0  0
 12 35  1  0  0  0  0
 24 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0233385

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC12COC1CC(O)C13COC(=O)C1(O)C1=C(C)CCC1(C(OC(=O)C1=CC=CC=C1)C23)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C29H34O10/c1-15-10-11-26(25(3,4)34)20(15)29(35)24(33)37-13-27(29)18(31)12-19-28(14-36-19,39-16(2)30)21(27)22(26)38-23(32)17-8-6-5-7-9-17/h5-9,18-19,21-22,31,34-35H,10-14H2,1-4H3

> <INCHI_KEY>
MBFIOFDQFUMPRF-UHFFFAOYSA-N

> <FORMULA>
C29H34O10

> <MOLECULAR_WEIGHT>
542.581

> <EXACT_MASS>
542.215197295

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
54.08892955047697

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate

> <ALOGPS_LOGP>
1.34

> <JCHEM_LOGP>
0.5461936659999997

> <ALOGPS_LOGS>
-2.97

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.271274883577068

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.327791854122795

> <JCHEM_PKA_STRONGEST_BASIC>
-2.950937475997331

> <JCHEM_POLAR_SURFACE_AREA>
148.82

> <JCHEM_REFRACTIVITY>
134.16920000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.78e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0       3.683  -4.625   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.410  -4.652   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       7.101  -5.298   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       6.093  -3.106   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       5.860  -1.570   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.741  -2.629   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.683  -1.510   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.801  -0.451   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.241   1.024   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.304   1.393   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.852   3.038   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.797   0.263   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.995   1.577   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       7.997   2.746   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.419   2.155   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      10.356   3.504   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       9.296   0.619   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      10.788   1.300   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      10.354  -0.499   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.893  -0.462   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.306   0.336   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.405  -1.914   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.182  -2.850   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.914  -1.975   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.416  -2.332   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       8.093  -3.841   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       6.584  -4.167   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.024  -3.528   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       6.038  -5.641   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.096  -6.760   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.656  -8.236   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.158  -8.593   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.100  -7.474   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.540  -5.998   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.358  -1.213   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.810  -3.821   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      10.330  -5.431   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      12.632  -3.478   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      11.632  -5.418   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    8   35                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    5    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   17   35                                             
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   12   18   19                                             
CONECT   18   17                                                            
CONECT   19   17   20   24                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   19   25   36                                             
CONECT   25   24   26   35                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   29                                                       
CONECT   35   25    5   12                                                  
CONECT   36   24   37   38   39                                             
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   36                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

View in JSmol

Synonyms

Value	Source
13-(Acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0,.0,.0,]octadec-6-en-11-yl benzoic acid	Generator
13-(Acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoic acid	Generator

Chemical Formula

C₂₉H₃₄O₁₀

Average Mass

542.5810 Da

Monoisotopic Mass

542.21520 Da

IUPAC Name

13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate

Traditional Name

13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate

CAS Registry Number

Not Available

SMILES

CC(=O)OC12COC1CC(O)C13COC(=O)C1(O)C1=C(C)CCC1(C(OC(=O)C1=CC=CC=C1)C23)C(C)(C)O

InChI Identifier

InChI=1S/C29H34O10/c1-15-10-11-26(25(3,4)34)20(15)29(35)24(33)37-13-27(29)18(31)12-19-28(14-36-19,39-16(2)30)21(27)22(26)38-23(32)17-8-6-5-7-9-17/h5-9,18-19,21-22,31,34-35H,10-14H2,1-4H3

InChI Key

MBFIOFDQFUMPRF-UHFFFAOYSA-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
Taxus sumatrana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Sesquiterpenoid
Benzoate ester
Benzoic acid or derivatives
Tricarboxylic acid or derivatives
Benzoyl
Monocyclic benzene moiety
Benzenoid
Gamma butyrolactone
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Carboxylic acid ester
Secondary alcohol
Oxetane
Lactone
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Dialkyl ether
Ether
Carbonyl group
Alcohol
Organic oxygen compound
Organooxygen compound
Organic oxide
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	1.34	ALOGPS
logP	0.55	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	11.33	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	148.82 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	134.17 m³·mol⁻¹	ChemAxon
Polarizability	54.09 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

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

56678034

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate (NP0233385)

MOL for NP0233385 (13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate)

3D MOL for NP0233385 (13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate)

3D SDF for NP0233385 (13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate)

3D-SDF for NP0233385 (13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate)

PDB for NP0233385 (13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate)

3D PDB for NP0233385 (13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate)

SMILES for NP0233385 (13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate)

INCHI for NP0233385 (13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate)

Structure for NP0233385 (13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate)

3D Structure for NP0233385 (13-(acetyloxy)-5,18-dihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate)