NP-MRD: Showing NP-Card for 15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate (NP0274971)

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Record Information

Version

2.0

Created at

2022-09-08 22:33:00 UTC

Updated at

2022-09-08 22:33:00 UTC

NP-MRD ID

NP0274971

Secondary Accession Numbers

None

Natural Product Identification

Common Name

15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate

Description

15-(Acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3H,4H,5H,6H,6aH,9H,10H,11H,12H,15H,15bH-cycloundeca[e]isoindol-6-yl acetate belongs to the class of organic compounds known as cytochalasans. These are fungal metabolites structurally characterized by the presence of an isoindolone nucleus fused to a macrocyclic ring, which can either a lactone, as in cytochalasin B, a carbonate, as in cytochalasin E, or a carbocycle, as in cytochalasin D, H, and K. 15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate is found in Zygosporium masonii. 15-(Acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3H,4H,5H,6H,6aH,9H,10H,11H,12H,15H,15bH-cycloundeca[e]isoindol-6-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241508242D          

 40 43  0  0  0  0            999 V2000
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    2.9653    0.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8881   -0.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 36 39  1  0  0  0  0
  2 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004241508242D          

 40 43  0  0  0  0            999 V2000
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    3.1384    4.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    3.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172    2.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7517    2.9231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5126    2.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    2.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2536    3.6115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8019    4.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5057    5.0597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6169    4.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9293    2.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5840    2.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3461    2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7362    3.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212    2.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4535    1.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651    1.3841    0.0000 O   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
  4  3  1  4  0  0  0
  4  5  2  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
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 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
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  6 28  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 34 29  1  4  0  0  0
 34 35  2  0  0  0  0
 35 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
  2 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0274971

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1C2C(CC3=CC=CC=C3)NC(=O)C22C(C=CCC(C)C(=O)C(C)(O)C=CC2OC(C)=O)C(OC(C)=O)C1=C

> <INCHI_IDENTIFIER>
InChI=1S/C32H39NO7/c1-18-11-10-14-24-28(40-22(5)35)20(3)19(2)27-25(17-23-12-8-7-9-13-23)33-30(37)32(24,27)26(39-21(4)34)15-16-31(6,38)29(18)36/h7-10,12-16,18-19,24-28,38H,3,11,17H2,1-2,4-6H3,(H,33,37)

> <INCHI_KEY>
APXVRVLJIANRPI-UHFFFAOYSA-N

> <FORMULA>
C32H39NO7

> <MOLECULAR_WEIGHT>
549.664

> <EXACT_MASS>
549.2726526

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
58.54852537355627

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
15-(acetyloxy)-3-benzyl-12-hydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-1H,2H,3H,4H,5H,6H,6aH,9H,10H,11H,12H,15H,15bH-cycloundeca[e]isoindol-6-yl acetate

> <ALOGPS_LOGP>
3.20

> <JCHEM_LOGP>
3.5563656999999993

> <ALOGPS_LOGS>
-5.41

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.252900117905643

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.862606188504518

> <JCHEM_PKA_STRONGEST_BASIC>
-0.3741439870299771

> <JCHEM_POLAR_SURFACE_AREA>
119.0

> <JCHEM_REFRACTIVITY>
150.67430000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.12e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
15-(acetyloxy)-3-benzyl-12-hydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2H,3H,4H,6H,6aH,9H,10H,15H,15bH-cycloundeca[e]isoindol-6-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      12.127   1.216   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.755   2.102   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.474   0.588   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.947   0.388   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.285   1.778   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.757   2.490   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.535   1.553   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       5.391  -0.031   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.287  -1.137   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.688  -2.624   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.799  -0.740   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.113   2.143   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.798   1.142   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.912   3.670   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.384   4.132   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.134   4.607   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.256   6.142   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.942   7.148   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.366   8.657   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.291   9.759   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.708  11.242   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.200  11.622   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.275  10.519   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.858   9.037   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       6.753   6.501   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       7.125   5.245   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       8.870   5.456   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       6.557   4.017   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.779   4.954   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       7.940   6.741   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.964   8.007   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       8.411   9.445   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      10.485   7.768   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.201   4.364   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.423   5.302   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.846   4.712   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      12.574   6.211   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      13.479   4.948   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      12.047   3.185   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      13.561   2.584   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   39                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   28                                                  
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    7   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   28                                                  
CONECT   17   16   18   25                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   19                                                       
CONECT   25   17   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26    6   16   29                                             
CONECT   29   28   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   29   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38   39                                             
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   36    2   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Value	Source
15-(Acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3H,4H,5H,6H,6ah,9H,10H,11H,12H,15H,15BH-cycloundeca[e]isoindol-6-yl acetic acid	Generator

Chemical Formula

C₃₂H₃₉NO₇

Average Mass

549.6640 Da

Monoisotopic Mass

549.27265 Da

IUPAC Name

15-(acetyloxy)-3-benzyl-12-hydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-1H,2H,3H,4H,5H,6H,6aH,9H,10H,11H,12H,15H,15bH-cycloundeca[e]isoindol-6-yl acetate

Traditional Name

15-(acetyloxy)-3-benzyl-12-hydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2H,3H,4H,6H,6aH,9H,10H,15H,15bH-cycloundeca[e]isoindol-6-yl acetate

CAS Registry Number

Not Available

SMILES

CC1C2C(CC3=CC=CC=C3)NC(=O)C22C(C=CCC(C)C(=O)C(C)(O)C=CC2OC(C)=O)C(OC(C)=O)C1=C

InChI Identifier

InChI=1S/C32H39NO7/c1-18-11-10-14-24-28(40-22(5)35)20(3)19(2)27-25(17-23-12-8-7-9-13-23)33-30(37)32(24,27)26(39-21(4)34)15-16-31(6,38)29(18)36/h7-10,12-16,18-19,24-28,38H,3,11,17H2,1-2,4-6H3,(H,33,37)

InChI Key

APXVRVLJIANRPI-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
Zygosporium masonii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cytochalasans. These are fungal metabolites structurally characterized by the presence of an isoindolone nucleus fused to a macrocyclic ring, which can either a lactone, as in cytochalasin B, a carbonate, as in cytochalasin E, or a carbocycle, as in cytochalasin D, H, and K.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Cytochalasans

Sub Class

Not Available

Direct Parent

Cytochalasans

Alternative Parents

Substituents

Carbocyclic cytochalasan skeleton
Cytochalasan
Isoindolone
Isoindoline
Isoindole
Isoindole or derivatives
Acyloin
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Benzenoid
2-pyrrolidone
Pyrrolidone
Tertiary alcohol
Pyrrolidine
Carboxamide group
Carboxylic acid ester
Cyclic ketone
Secondary carboxylic acid amide
Ketone
Lactam
Organoheterocyclic compound
Azacycle
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Alcohol
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
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	3.2	ALOGPS
logP	3.56	ChemAxon
logS	-5.4	ALOGPS
pKa (Strongest Acidic)	12.86	ChemAxon
pKa (Strongest Basic)	-0.37	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	119 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	150.67 m³·mol⁻¹	ChemAxon
Polarizability	58.55 Å³	ChemAxon
Number of Rings	4	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate (NP0274971)

MOL for NP0274971 (15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate)

3D MOL for NP0274971 (15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate)

3D SDF for NP0274971 (15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate)

3D-SDF for NP0274971 (15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate)

PDB for NP0274971 (15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate)

3D PDB for NP0274971 (15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate)

SMILES for NP0274971 (15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate)

INCHI for NP0274971 (15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate)

Structure for NP0274971 (15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate)

3D Structure for NP0274971 (15-(acetyloxy)-3-benzyl-1,12-dihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3h,3ah,4h,6h,6ah,9h,10h,15h-cycloundeca[d]isoindol-6-yl acetate)