NP-MRD: Showing NP-Card for 2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate (NP0224275)

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Record Information

Version

2.0

Created at

2022-09-06 02:35:48 UTC

Updated at

2022-09-06 02:35:48 UTC

NP-MRD ID

NP0224275

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate

Description

2-[(1R,3aR,6R,7R,8R,12S,12aS)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1H,2H,3H,3aH,6H,7H,8H,11H,12H,12aH-cyclopenta[11]annulen-1-yl]propan-2-yl acetate belongs to the class of organic compounds known as dolabellane and neodolabellane diterpenoids. These are diterpenoids with a structure based on the dolabellane skeleton (3a,6,10-trimethyl-1-(propan-2-yl)-cyclopenta[11]annulene) or the neodolabellane skeleton. 2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate is found in Dictyota dichotoma. Based on a literature review very few articles have been published on 2-[(1R,3aR,6R,7R,8R,12S,12aS)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1H,2H,3H,3aH,6H,7H,8H,11H,12H,12aH-cyclopenta[11]annulen-1-yl]propan-2-yl acetate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062204352D          

 33 34  0  0  1  0            999 V2000
    8.4161    1.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6445    1.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5116    2.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058    1.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2342    1.5927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5478    1.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4049    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9783   -0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5880    0.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2261    0.8199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8014    1.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4043    1.1937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6630    0.8318    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5200    0.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7075    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326   -0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771   -0.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020   -1.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591   -1.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698   -0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0896    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4766    2.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2891    2.0107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0892    2.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9390    2.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7041    2.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3540    2.7183    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2388    3.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190    2.4096    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7689    2.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6538    3.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887    4.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3037    4.2429    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
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END


  Mrv1652309062204352D          

 33 34  0  0  1  0            999 V2000
    8.4161    1.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6445    1.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5116    2.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058    1.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2342    1.5927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5478    1.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4049    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9783   -0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5880    0.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2261    0.8199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8014    1.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4043    1.1937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6630    0.8318    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5200    0.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7075    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326   -0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771   -0.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020   -1.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591   -1.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698   -0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0896    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4766    2.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2891    2.0107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0892    2.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9390    2.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7041    2.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3540    2.7183    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2388    3.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190    2.4096    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7689    2.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6538    3.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887    4.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3037    4.2429    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
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0224275

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1\C=C\[C@@]2(C)CC[C@H]([C@@H]2[C@@H](O)C\C(C)=C\[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C(C)(C)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H40O7/c1-15-13-21(30)23-20(25(6,7)33-19(5)29)10-12-26(23,8)11-9-16(2)24(32-18(4)28)22(14-15)31-17(3)27/h9,11,14,16,20-24,30H,10,12-13H2,1-8H3/b11-9+,15-14+/t16-,20-,21+,22-,23-,24-,26+/m1/s1

> <INCHI_KEY>
RRUVFTNSKBGGIY-OEDLJUIESA-N

> <FORMULA>
C26H40O7

> <MOLECULAR_WEIGHT>
464.599

> <EXACT_MASS>
464.277403628

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
50.50887992516477

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(1R,3aR,6R,7R,8R,12S,12aS)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1H,2H,3H,3aH,6H,7H,8H,11H,12H,12aH-cyclopenta[11]annulen-1-yl]propan-2-yl acetate

> <JCHEM_LOGP>
2.964016837333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.842186261055652

> <JCHEM_PKA_STRONGEST_BASIC>
-2.867827729414257

> <JCHEM_POLAR_SURFACE_AREA>
99.13000000000002

> <JCHEM_REFRACTIVITY>
125.35019999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-[(1R,3aR,6R,7R,8R,12S,12aS)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1H,2H,3H,6H,7H,8H,11H,12H,12aH-cyclopenta[11]annulen-1-yl]propan-2-yl acetate

> <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      15.710   2.858   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.270   3.403   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      14.022   4.923   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      13.077   2.428   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      11.637   2.973   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.356   1.878   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.089   0.362   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.159  -0.746   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.564   0.147   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.889   1.530   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       8.963   2.634   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.355   2.228   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.971   1.553   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.704   0.036   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.187   0.303   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.221  -0.231   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.437  -1.481   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.990  -2.008   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.724  -3.525   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.810  -1.019   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.901   2.660   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.623   4.020   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.140   3.753   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.767   5.247   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.353   4.702   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.781   4.126   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.994   5.074   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.779   6.599   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.422   4.498   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      12.635   5.447   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      12.420   6.972   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.992   7.548   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      13.633   7.920   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   29                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   23                                                  
CONECT   13   12   14   21                                                  
CONECT   14   13   15   16   17                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   14   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   13   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   12   24   25                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27    5   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   68    0
END

View in JSmol

Synonyms

Value	Source
2-[(1R,3AR,6R,7R,8R,12S,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1H,2H,3H,3ah,6H,7H,8H,11H,12H,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetic acid	Generator

Chemical Formula

C₂₆H₄₀O₇

Average Mass

464.5990 Da

Monoisotopic Mass

464.27740 Da

IUPAC Name

2-[(1R,3aR,6R,7R,8R,12S,12aS)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1H,2H,3H,3aH,6H,7H,8H,11H,12H,12aH-cyclopenta[11]annulen-1-yl]propan-2-yl acetate

Traditional Name

2-[(1R,3aR,6R,7R,8R,12S,12aS)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1H,2H,3H,6H,7H,8H,11H,12H,12aH-cyclopenta[11]annulen-1-yl]propan-2-yl acetate

CAS Registry Number

Not Available

SMILES

C[C@@H]1\C=C\[C@@]2(C)CC[C@H]([C@@H]2[C@@H](O)C\C(C)=C\[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C(C)(C)OC(C)=O

InChI Identifier

InChI=1S/C26H40O7/c1-15-13-21(30)23-20(25(6,7)33-19(5)29)10-12-26(23,8)11-9-16(2)24(32-18(4)28)22(14-15)31-17(3)27/h9,11,14,16,20-24,30H,10,12-13H2,1-8H3/b11-9+,15-14+/t16-,20-,21+,22-,23-,24-,26+/m1/s1

InChI Key

RRUVFTNSKBGGIY-OEDLJUIESA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Dictyota dichotoma	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dolabellane and neodolabellane diterpenoids. These are diterpenoids with a structure based on the dolabellane skeleton (3a,6,10-trimethyl-1-(propan-2-yl)-cyclopenta[11]annulene) or the neodolabellane skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Dolabellane and neodolabellane diterpenoids

Alternative Parents

Substituents

Dolabellane diterpenoid
Tricarboxylic acid or derivatives
Secondary alcohol
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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	2.96	ChemAxon
pKa (Strongest Acidic)	14.84	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	99.13 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	125.35 m³·mol⁻¹	ChemAxon
Polarizability	50.51 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

163072580

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate (NP0224275)

MOL for NP0224275 (2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate)

3D MOL for NP0224275 (2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate)

3D SDF for NP0224275 (2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate)

3D-SDF for NP0224275 (2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate)

PDB for NP0224275 (2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate)

3D PDB for NP0224275 (2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate)

SMILES for NP0224275 (2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate)

INCHI for NP0224275 (2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate)

Structure for NP0224275 (2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate)

3D Structure for NP0224275 (2-[(1r,3ar,6r,7r,8r,12s,12as)-7,8-bis(acetyloxy)-12-hydroxy-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-1-yl]propan-2-yl acetate)