NP-MRD: Showing NP-Card for (1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one (NP0327366)

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Record Information

Version

2.0

Created at

2022-09-12 09:53:08 UTC

Updated at

2022-09-12 09:53:08 UTC

NP-MRD ID

NP0327366

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one

Description

(1R,4S,7E,9S,10S,12R,16S)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]Hexadec-13-en-6-one belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12. (1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one is found in Androstachys johnsonii. Based on a literature review very few articles have been published on (1R,4S,7E,9S,10S,12R,16S)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]Hexadec-13-en-6-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122211532D          

 29 33  0  0  1  0            999 V2000
    6.2830   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4907   -0.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4017   -1.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548    0.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6780    0.2737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958    0.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7599    1.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3009    2.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4777    2.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0186    2.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3828    3.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060    3.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6650    3.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5726    0.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2085    0.1093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7909    0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.5762    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2508   -1.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4229   -1.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8600   -0.6276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3317   -0.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5236    0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1036    1.1876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0276    1.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3567    0.1539    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6307    0.3859    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0413    0.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289   -0.0479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137   -0.4925    0.0000 C   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
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 22  1  1  0  0  0
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 25 24  1  1  0  0  0
 15 25  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  6  0  0  0
 26 29  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

     RDKit          3D

 63 67  0  0  0  0  0  0  0  0999 V2000
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    3.3472    2.9245   -0.7294 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0823    1.8891   -0.6925 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3671    2.2452   -1.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3721    1.1581   -1.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3699    0.1030   -0.4348 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6262   -1.2107   -1.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6446   -2.2760   -0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3545   -1.9064    1.1608 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9833   -1.2582    1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1158    0.0288    0.3908 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4487   -0.9090    1.5316 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7651   -1.6730    1.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3575   -0.5485    2.8547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4988    0.2627    0.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519    1.7851   -3.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2628    3.3581   -3.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5265   -0.3813   -1.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1498   -0.3594   -2.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1258    2.3649    0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1282    2.6385   -2.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8580    3.1255   -0.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4032    1.6142   -1.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2905    0.7156   -2.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8403   -3.2767   -0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2220    0.8385    1.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1183   -1.5509    0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309122211532D          

 29 33  0  0  1  0            999 V2000
    6.2830   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4907   -0.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4017   -1.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548    0.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6780    0.2737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958    0.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7599    1.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3009    2.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4777    2.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0186    2.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3828    3.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0413    0.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289   -0.0479    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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  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0327366

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)C(=O)\C(C[C@@]4(C)[C@@H]2C[C@@H]1C=C3)=C\C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1

> <INCHI_KEY>
KFTJQBMBWGAXNI-HCLFTBTMSA-N

> <FORMULA>
C27H34O2

> <MOLECULAR_WEIGHT>
390.567

> <EXACT_MASS>
390.255880335

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
45.638272452060775

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,4S,7E,9S,10S,12R,16S)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0^{1,10}.0^{4,9}]hexadec-13-en-6-one

> <JCHEM_LOGP>
5.67381835

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.748687752813378

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7217071399286453

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
119.5072

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4S,7E,9S,10S,12R,16S)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0^{1,10}.0^{4,9}]hexadec-13-en-6-one

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      11.728  -1.403   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.249  -0.973   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.083  -2.504   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.929   0.409   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      12.466   0.511   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      10.072   1.688   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.752   3.070   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.895   4.350   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.358   4.247   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.501   5.527   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.181   6.909   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.718   7.011   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.575   5.732   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.536   1.586   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.856   0.204   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.076   1.532   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.713  -1.075   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.935  -2.479   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.389  -2.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.339  -1.172   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.353  -0.156   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.711   1.148   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.927   2.217   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.651   1.901   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.266   0.287   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.044   0.720   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.944   1.798   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       1.734  -0.089   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.572  -0.919   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4   17                                             
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   14                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    8                                                       
CONECT   14    6   15                                                       
CONECT   15   14   16   17   25                                             
CONECT   16   15                                                            
CONECT   17   15    2   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   25   29                                             
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24   15   20                                                  
CONECT   26   23   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26   20                                                       
MASTER        0    0    0    0    0    0    0    0   29    0   66    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₄O₂

Average Mass

390.5670 Da

Monoisotopic Mass

390.25588 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)C(=O)\C(C[C@@]4(C)[C@@H]2C[C@@H]1C=C3)=C\C1=CC=CC=C1

InChI Identifier

InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1

InChI Key

KFTJQBMBWGAXNI-HCLFTBTMSA-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
Androstachys johnsonii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Atisane diterpenoids

Alternative Parents

Substituents

Atisane diterpenoid
Alkaloid or derivatives
Benzenoid
Monocyclic benzene moiety
Tertiary alcohol
Cyclic alcohol
Cyclic ketone
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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

163186808

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one (NP0327366)

MOL for NP0327366 ((1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one)

3D MOL for NP0327366 ((1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one)

3D SDF for NP0327366 ((1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one)

3D-SDF for NP0327366 ((1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one)

PDB for NP0327366 ((1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one)

3D PDB for NP0327366 ((1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one)

SMILES for NP0327366 ((1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one)

INCHI for NP0327366 ((1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one)

Structure for NP0327366 ((1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one)

3D Structure for NP0327366 ((1r,4s,7e,9s,10s,12r,16s)-16-hydroxy-5,5,9,16-tetramethyl-7-(phenylmethylidene)tetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-6-one)