NP-MRD: Showing NP-Card for (1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate (NP0180924)

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Record Information

Version

2.0

Created at

2022-09-03 19:21:27 UTC

Updated at

2022-09-03 19:21:27 UTC

NP-MRD ID

NP0180924

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate

Description

(1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate is found in Taxus baccata, Taxus brevifolia, Taxus mairei and Taxus wallichiana.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309032221212D          

 40 42  0  0  1  0            999 V2000
    0.1752    5.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4864    4.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2440    4.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3402    5.7716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0978    6.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1940    6.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7594    5.6051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9056    4.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094    3.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0518    3.3134    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7644    2.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1422    2.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9911    1.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5711    0.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539    0.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760   -0.3213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2754    1.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0463    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0538    0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7914    1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7570    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4715    2.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    1.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004    2.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004    3.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6149    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3294    2.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6149    1.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    2.9970    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4657    3.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743    4.3842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6993    4.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1080    5.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1157    3.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3902    3.8064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5923    2.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0834    3.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2256    2.4827    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  0  0  0  0
  8  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  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
 15 17  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 31 22  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 32 37  1  0  0  0  0
 37  2  1  6  0  0  0
 10 37  1  0  0  0  0
 31 38  1  0  0  0  0
 18 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END


  Mrv1652309032221212D          

 40 42  0  0  1  0            999 V2000
    0.1752    5.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4864    4.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2440    4.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3402    5.7716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0978    6.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1940    6.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7594    5.6051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9056    4.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094    3.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0518    3.3134    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7644    2.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1422    2.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9911    1.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5711    0.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539    0.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760   -0.3213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2754    1.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0463    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0538    0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7914    1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7570    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4715    2.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    1.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004    2.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004    3.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6149    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3294    2.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6149    1.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    2.9970    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4657    3.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743    4.3842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6993    4.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1080    5.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1157    3.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3902    3.8064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5923    2.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0834    3.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2256    2.4827    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  0  0  0  0
  8  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  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
 15 17  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 31 22  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 32 37  1  0  0  0  0
 37  2  1  6  0  0  0
 10 37  1  0  0  0  0
 31 38  1  0  0  0  0
 18 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0180924

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)C(C)C(=O)OC1CC(C)=C2C(C[C@]3(C)CCC(OC(C)=O)C(=C)[C@@H]3C(OC(C)=O)[C@@H]1C2(C)C)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16?,18?,22?,23?,24?,26-,27-,28?,31+/m1/s1

> <INCHI_KEY>
FMPIEMVVEJGMCY-HPHVTGLNSA-N

> <FORMULA>
C31H46O9

> <MOLECULAR_WEIGHT>
562.7

> <EXACT_MASS>
562.314183061

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
60.430446051661875

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3R,8S)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate

> <JCHEM_LOGP>
2.8813809406666677

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.027480528833948

> <JCHEM_PKA_STRONGEST_BASIC>
-2.78678001668803

> <JCHEM_POLAR_SURFACE_AREA>
125.43

> <JCHEM_REFRACTIVITY>
146.27600000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,8S)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       0.327   9.555   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.908   8.635   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.322   9.244   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -2.502  10.774   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -3.916  11.383   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.095  12.912   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -5.151  10.463   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -3.557   8.324   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.378   6.794   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.963   6.185   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.293   5.409   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.132   4.624   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.094   3.409   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.850   2.068   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -1.066   0.742   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.474   0.758   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.822  -0.600   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.514   3.145   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.953   2.408   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.967   0.868   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.344   3.153   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.280   4.730   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.613   5.500   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.947   4.730   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.947   3.190   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       7.281   5.500   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.281   7.040   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.614   4.730   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.948   5.500   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       8.614   3.190   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       1.913   5.594   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.869   6.846   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       1.632   8.184   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       3.172   8.192   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.935   9.530   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       3.949   6.863   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -0.728   7.105   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.106   4.432   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.156   5.644   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -0.421   4.634   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   37                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    3    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12   37                                             
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   13   19   38                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   31                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   22   32   38                                                  
CONECT   32   31   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   32    2   10                                                  
CONECT   38   31   18   39   40                                             
CONECT   39   38                                                            
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   84    0
END

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Synonyms

Not Available

Chemical Formula

C₃₁H₄₆O₉

Average Mass

562.7000 Da

Monoisotopic Mass

562.31418 Da

IUPAC Name

(1R,3R,8S)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate

Traditional Name

(1R,3R,8S)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate

CAS Registry Number

Not Available

SMILES

CC(O)C(C)C(=O)OC1CC(C)=C2C(C[C@]3(C)CCC(OC(C)=O)C(=C)[C@@H]3C(OC(C)=O)[C@@H]1C2(C)C)OC(C)=O

InChI Identifier

InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16?,18?,22?,23?,24?,26-,27-,28?,31+/m1/s1

InChI Key

FMPIEMVVEJGMCY-HPHVTGLNSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Taxus baccata	LOTUS Database	35616633
Taxus brevifolia	LOTUS Database	35616633
Taxus mairei	LOTUS Database	35616633
Taxus wallichiana	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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	2.88	ChemAxon
pKa (Strongest Acidic)	15.03	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	125.43 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	146.28 m³·mol⁻¹	ChemAxon
Polarizability	60.43 Å³	ChemAxon
Number of Rings	3	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

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate (NP0180924)

MOL for NP0180924 ((1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate)

3D MOL for NP0180924 ((1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate)

3D SDF for NP0180924 ((1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate)

3D-SDF for NP0180924 ((1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate)

PDB for NP0180924 ((1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate)

3D PDB for NP0180924 ((1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate)

SMILES for NP0180924 ((1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate)

INCHI for NP0180924 ((1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate)

Structure for NP0180924 ((1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate)

3D Structure for NP0180924 ((1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate)