NP-MRD: Showing NP-Card for (6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid (NP0235467)

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Record Information

Version

1.0

Created at

2022-09-06 18:06:52 UTC

Updated at

2022-09-06 18:06:52 UTC

NP-MRD ID

NP0235467

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid

Description

(6R)-6-[(1R,1R,1'bR,3aR,5S,5'aS,5'bR,7aS)-5-hydroxy-1,1'b,4,4,7a-pentamethyl-4'-oxo-tetradecahydro-1H-spiro[indene-1,5'-indeno[1,7a-b]oxirene]-1-yl]-2-methylhepta-2,4-dienoic acid belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid is found in Garcinia speciosa. Based on a literature review very few articles have been published on (6R)-6-[(1R,1R,1'bR,3aR,5S,5'aS,5'bR,7aS)-5-hydroxy-1,1'b,4,4,7a-pentamethyl-4'-oxo-tetradecahydro-1H-spiro[indene-1,5'-indeno[1,7a-b]oxirene]-1-yl]-2-methylhepta-2,4-dienoic acid.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062220062D          

 35 39  0  0  1  0            999 V2000
   -3.7851   -0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4701   -0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6522   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1494   -0.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3316   -0.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288    0.1239    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1439    0.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0109    0.0155    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2042   -0.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0114    0.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8026    1.0738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5226    1.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2693    0.3935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0871    0.2851    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8535    1.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338    1.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1879    1.0403    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9992    1.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7104    1.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7109    1.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5345    0.5622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3458    0.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2584   -0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4471   -0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9118    0.2628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8035   -0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4022   -0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001   -1.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8994   -1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0816   -1.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7665   -0.2606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1981   -0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729   -1.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6578   -2.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7907   -1.5132    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
  3  4  1  4  0  0  0
  4  5  2  3  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  8  6  1  1  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 17 25  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  1  0  0  0
 14 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
 13 31  1  0  0  0  0
  8 31  1  0  0  0  0
 31 32  1  1  0  0  0
  2 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END


  Mrv1652309062220062D          

 35 39  0  0  1  0            999 V2000
   -3.7851   -0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4701   -0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6522   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1494   -0.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3316   -0.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288    0.1239    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1439    0.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0109    0.0155    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2042   -0.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0114    0.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8026    1.0738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5226    1.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2693    0.3935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0871    0.2851    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8535    1.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338    1.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1879    1.0403    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9992    1.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7104    1.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7109    1.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5345    0.5622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3458    0.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2584   -0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4471   -0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9118    0.2628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8035   -0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4022   -0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001   -1.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8994   -1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0816   -1.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7665   -0.2606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1981   -0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729   -1.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6578   -2.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7907   -1.5132    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
  3  4  1  4  0  0  0
  4  5  2  3  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  8  6  1  1  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 17 25  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  1  0  0  0
 14 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
 13 31  1  0  0  0  0
  8 31  1  0  0  0  0
 31 32  1  1  0  0  0
  2 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0235467

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](C=CC=C(C)C(O)=O)[C@@]1(C)C[C@H]2O[C@]22[C@]1(C)CCC(=O)[C@@]21CC[C@@H]2[C@]1(C)CC[C@H](O)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C30H44O5/c1-18(24(33)34)9-8-10-19(2)27(6)17-23-30(35-23)28(27,7)15-13-22(32)29(30)16-11-20-25(3,4)21(31)12-14-26(20,29)5/h8-10,19-21,23,31H,11-17H2,1-7H3,(H,33,34)/t19-,20+,21+,23-,26+,27-,28-,29-,30+/m1/s1

> <INCHI_KEY>
UONZCNGOTPYRMX-CPAWQVPLSA-N

> <FORMULA>
C30H44O5

> <MOLECULAR_WEIGHT>
484.677

> <EXACT_MASS>
484.318874517

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
45.219101844483966

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6R)-6-[(1R,1R,1'bR,3aR,5S,5'aS,5'bR,7aS)-5-hydroxy-1,1'b,4,4,7a-pentamethyl-4'-oxo-tetradecahydro-1H-spiro[indene-1,5'-indeno[1,7a-b]oxirene]-1-yl]-2-methylhepta-2,4-dienoic acid

> <JCHEM_LOGP>
5.414833092

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
19.12238014658962

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.6415031310712935

> <JCHEM_PKA_STRONGEST_BASIC>
-0.834963556698633

> <JCHEM_POLAR_SURFACE_AREA>
87.13000000000001

> <JCHEM_REFRACTIVITY>
136.64030000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6R)-6-[(1R,1R,1'bR,3aR,5S,5'aS,5'bR,7aS)-5-hydroxy-1,1'b,4,4,7a-pentamethyl-4'-oxo-decahydrospiro[indene-1,5'-indeno[1,7a-b]oxirene]-1-yl]-2-methylhepta-2,4-dienoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -7.066  -0.383   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.477  -1.806   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.951  -2.008   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.012  -0.787   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.486  -0.990   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.547   0.231   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.135   1.655   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.020   0.029   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.381  -1.468   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.021   1.568   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.498   2.004   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.842   2.228   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.369   0.735   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.896   0.532   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.460   2.009   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.730   2.880   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.951   1.942   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.465   2.221   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.793   3.002   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.927   3.664   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.464   1.049   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.979   1.329   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.949  -0.402   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.435  -0.681   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.435   0.491   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.233  -1.036   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.484  -0.891   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.600  -1.952   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.546  -2.112   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.019  -1.910   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.431  -0.486   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.370  -1.603   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -7.416  -3.027   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -6.828  -4.450   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -8.943  -2.825   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   33                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10   31                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11   13                                                       
CONECT   13   12   11   14   31                                             
CONECT   14   13   15   25   27                                             
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   25                                                  
CONECT   18   17   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   17   14   26                                             
CONECT   26   25                                                            
CONECT   27   14   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   13    8   32                                             
CONECT   32   31                                                            
CONECT   33    2   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   78    0
END

View in JSmol

Synonyms

Value	Source
(6R)-6-[(1R,1R,1'BR,3AR,5S,5'as,5'BR,7as)-5-hydroxy-1,1'b,4,4,7a-pentamethyl-4'-oxo-tetradecahydro-1H-spiro[indene-1,5'-indeno[1,7a-b]oxirene]-1-yl]-2-methylhepta-2,4-dienoate	Generator

Chemical Formula

C₃₀H₄₄O₅

Average Mass

484.6770 Da

Monoisotopic Mass

484.31887 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H](C=CC=C(C)C(O)=O)[C@@]1(C)C[C@H]2O[C@]22[C@]1(C)CCC(=O)[C@@]21CC[C@@H]2[C@]1(C)CC[C@H](O)C2(C)C

InChI Identifier

InChI=1S/C30H44O5/c1-18(24(33)34)9-8-10-19(2)27(6)17-23-30(35-23)28(27,7)15-13-22(32)29(30)16-11-20-25(3,4)21(31)12-14-26(20,29)5/h8-10,19-21,23,31H,11-17H2,1-7H3,(H,33,34)/t19-,20+,21+,23-,26+,27-,28-,29-,30+/m1/s1

InChI Key

UONZCNGOTPYRMX-CPAWQVPLSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Garcinia speciosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Medium-chain fatty acid
Methyl-branched fatty acid
Hydroxy fatty acid
Heterocyclic fatty acid
Branched fatty acid
Fatty acyl
Fatty acid
Unsaturated fatty acid
Oxane
Cyclic alcohol
Secondary alcohol
Ketone
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Ether
Oxirane
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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

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

163034576

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid (NP0235467)

MOL for NP0235467 ((6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid)

3D MOL for NP0235467 ((6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid)

3D SDF for NP0235467 ((6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid)

3D-SDF for NP0235467 ((6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid)

PDB for NP0235467 ((6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid)

3D PDB for NP0235467 ((6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid)

SMILES for NP0235467 ((6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid)

INCHI for NP0235467 ((6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid)

Structure for NP0235467 ((6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid)

3D Structure for NP0235467 ((6r)-6-[(1r,1'ar,3'r,3ar,3'ar,5s,7as,7'as)-5-hydroxy-3',3'a,4,4,7a-pentamethyl-6'-oxo-decahydrospiro[indene-1,7'-indeno[1,7a-b]oxiren]-3'-yl]-2-methylhepta-2,4-dienoic acid)