NP-MRD: Showing NP-Card for 9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid (NP0218375)

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Record Information

Version

2.0

Created at

2022-09-05 19:01:48 UTC

Updated at

2022-09-05 19:01:49 UTC

NP-MRD ID

NP0218375

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid

Description

15,17-Bis(acetyloxy)-2,5,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]Henicosane-1-carboxylic acid belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. 9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid is found in Cyathus striatus. Based on a literature review very few articles have been published on 15,17-bis(acetyloxy)-2,5,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]Henicosane-1-carboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052221012D          

 40 44  0  0  0  0            999 V2000
    0.5233   -2.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279   -2.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9163   -2.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9442   -3.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1855   -4.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2592   -4.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0635   -5.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5685   -5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5599   -3.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 13 40  1  0  0  0  0
  4 40  1  0  0  0  0
  7 40  1  0  0  0  0
M  END

     RDKit          3D

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 40 92  1  1
M  END


  Mrv1652309052221012D          

 40 44  0  0  0  0            999 V2000
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    1.4651   -5.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2900   -5.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7133   -5.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6146   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3117   -4.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7350   -3.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5599   -3.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9615   -4.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7864   -4.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3848   -3.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2097   -3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8082   -2.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2315   -2.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299   -1.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0564   -2.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0346   -3.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4362   -4.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2611   -4.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6845   -3.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829   -3.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5094   -3.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0129   -5.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7838   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573   -5.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1880   -5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7647   -5.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9398   -5.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5382   -5.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1149   -5.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401   -6.2763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5165   -6.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4868   -4.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  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  1  0  0  0  0
 27 29  2  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 17 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 16 36  1  0  0  0  0
 11 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 13 40  1  0  0  0  0
  4 40  1  0  0  0  0
  7 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0218375

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C(CC(OC(C)=O)C(C)(C)C5CCC34C(O)=O)OC(C)=O)C12

> <INCHI_IDENTIFIER>
InChI=1S/C34H52O6/c1-19(2)22-12-14-31(7)16-17-32(8)23(28(22)31)10-11-25-33(9)24(13-15-34(25,32)29(37)38)30(5,6)26(39-20(3)35)18-27(33)40-21(4)36/h22-28H,1,10-18H2,2-9H3,(H,37,38)

> <INCHI_KEY>
WVURBOYJZCSJDH-UHFFFAOYSA-N

> <FORMULA>
C34H52O6

> <MOLECULAR_WEIGHT>
556.784

> <EXACT_MASS>
556.376389394

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
63.649956952085475

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
15,17-bis(acetyloxy)-2,5,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-1-carboxylic acid

> <JCHEM_LOGP>
6.218384827666665

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.505108930220852

> <JCHEM_PKA_STRONGEST_BASIC>
-6.702962790765678

> <JCHEM_POLAR_SURFACE_AREA>
89.9

> <JCHEM_REFRACTIVITY>
152.40040000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
15,17-bis(acetyloxy)-2,5,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-1-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       0.977  -4.407   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.105  -5.454   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.577  -5.001   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.762  -6.956   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.346  -7.561   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.484  -9.094   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.985  -9.438   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.061 -10.670   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.735 -10.783   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.275 -10.806   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.065  -9.484   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.881 -11.013   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.315  -8.139   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.105  -6.817   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.645  -6.841   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.395  -8.186   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.935  -8.209   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.185  -6.864   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.725  -6.888   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.975  -5.542   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       9.765  -4.221   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.016  -2.875   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      11.305  -4.244   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      11.265  -6.911   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.014  -8.256   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      13.554  -8.280   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      14.344  -6.958   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.595  -5.613   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      15.884  -6.981   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      11.224  -9.578   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.663 -10.127   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.934 -11.090   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.684  -9.555   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.894 -10.876   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.354 -10.853   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.605  -9.508   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.814 -10.830   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       4.555 -11.716   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       6.564 -12.175   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       2.775  -8.116   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   40                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   40                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13   36                                             
CONECT   12   11                                                            
CONECT   13   11   14   40                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   36                                                  
CONECT   17   16   18   19   33                                             
CONECT   18   17                                                            
CONECT   19   17   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   19   25                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   25   31   32   33                                             
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   30   17   34                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   16   11   37                                             
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   13    4    7                                                  
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

View in JSmol

Synonyms

Value	Source
15,17-Bis(acetyloxy)-2,5,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0,.0,.0,]henicosane-1-carboxylate	Generator

Chemical Formula

C₃₄H₅₂O₆

Average Mass

556.7840 Da

Monoisotopic Mass

556.37639 Da

IUPAC Name

15,17-bis(acetyloxy)-2,5,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-1-carboxylic acid

Traditional Name

15,17-bis(acetyloxy)-2,5,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-1-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC(=C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C(CC(OC(C)=O)C(C)(C)C5CCC34C(O)=O)OC(C)=O)C12

InChI Identifier

InChI=1S/C34H52O6/c1-19(2)22-12-14-31(7)16-17-32(8)23(28(22)31)10-11-25-33(9)24(13-15-34(25,32)29(37)38)30(5,6)26(39-20(3)35)18-27(33)40-21(4)36/h22-28H,1,10-18H2,2-9H3,(H,37,38)

InChI Key

WVURBOYJZCSJDH-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
Cyathus striatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
19-hydroxysteroid
19-oxosteroid
Hydroxysteroid
Oxosteroid
Steroid
Tricarboxylic acid or derivatives
Carboxylic acid ester
Carboxylic acid
Carboxylic acid derivative
Carbonyl group
Organooxygen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic 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
logP	6.22	ChemAxon
pKa (Strongest Acidic)	4.51	ChemAxon
pKa (Strongest Basic)	-6.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	89.9 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	152.4 m³·mol⁻¹	ChemAxon
Polarizability	63.65 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	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

73831036

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid (NP0218375)

MOL for NP0218375 (9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid)

3D MOL for NP0218375 (9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid)

3D SDF for NP0218375 (9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid)

3D-SDF for NP0218375 (9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid)

PDB for NP0218375 (9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid)

3D PDB for NP0218375 (9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid)

SMILES for NP0218375 (9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid)

INCHI for NP0218375 (9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid)

Structure for NP0218375 (9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid)

3D Structure for NP0218375 (9,11-bis(acetyloxy)-3a,5a,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid)