NP-MRD: Showing NP-Card for 6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate (NP0250732)

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Record Information

Version

2.0

Created at

2022-09-07 13:39:36 UTC

Updated at

2022-09-07 13:39:36 UTC

NP-MRD ID

NP0250732

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate

Description

6-(Acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]Hexadecan-2-yl acetate belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. 6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate is found in Isodon angustifolius. 6-(Acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]Hexadecan-2-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004181501322D          

 32 35  0  0  0  0            999 V2000
    5.5340   -1.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7288   -1.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707   -1.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4817   -0.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765   -0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4294    0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242    0.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0661   -0.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8257    0.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3132   -0.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596   -1.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0190   -2.2061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9506   -1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165   -1.8832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6941   -2.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5057   -2.8082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1601   -3.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6469   -0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726    0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028    0.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    1.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5595    1.6408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474    0.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7854   -0.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5987   -0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1637   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3012   -1.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184   -0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7061   -1.5572    0.0000 C   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 14 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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 25  1  0  0  0  0
 19 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 11 30  1  0  0  0  0
  5 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END


  Mrv1533004181501322D          

 32 35  0  0  0  0            999 V2000
    5.5340   -1.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7288   -1.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707   -1.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4817   -0.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765   -0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4294    0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242    0.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0661   -0.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8257    0.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3132   -0.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596   -1.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0190   -2.2061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9506   -1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165   -1.8832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6941   -2.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5057   -2.8082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1601   -3.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6469   -0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726    0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028    0.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    1.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5595    1.6408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474    0.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7854   -0.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5987   -0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1637   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3012   -1.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184   -0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7061   -1.5572    0.0000 C   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 14 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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 25  1  0  0  0  0
 19 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 11 30  1  0  0  0  0
  5 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0250732

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC1C(O)C2C(C)(C)C(OC(C)=O)C(O)CC2(C)C2C(O)CC3CC12C(O)C3=C

> <INCHI_IDENTIFIER>
InChI=1S/C24H36O8/c1-10-13-7-14(27)17-23(6)9-15(28)20(31-11(2)25)22(4,5)18(23)16(29)21(32-12(3)26)24(17,8-13)19(10)30/h13-21,27-30H,1,7-9H2,2-6H3

> <INCHI_KEY>
YTMAAGLOBUUNPD-UHFFFAOYSA-N

> <FORMULA>
C24H36O8

> <MOLECULAR_WEIGHT>
452.544

> <EXACT_MASS>
452.241018119

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
47.56315278923927

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate

> <ALOGPS_LOGP>
0.28

> <JCHEM_LOGP>
-0.41875503599999986

> <ALOGPS_LOGS>
-2.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.98773494492935

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.51010828014186

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8487863479702167

> <JCHEM_POLAR_SURFACE_AREA>
133.52

> <JCHEM_REFRACTIVITY>
112.5804

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.60e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 18-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-APR-15         0                                  
HETATM    1  C   UNK     0      10.330  -2.832   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.827  -2.497   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       7.785  -3.631   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       8.366  -1.027   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.863  -0.692   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.402   0.777   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       7.443   1.911   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.899   1.113   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.857  -0.022   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.408   1.452   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.318  -1.491   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.285  -2.656   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.769  -4.118   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.774  -2.341   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.778  -3.515   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.296  -4.965   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.811  -5.242   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.299  -6.139   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.208  -0.872   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.322   0.124   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.752   0.996   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.296   2.224   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.874   1.924   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.911   3.063   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.328   0.347   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.466  -0.449   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.984  -0.707   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.306  -1.583   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -0.562  -3.102   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       5.821  -1.826   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.538  -3.340   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.918  -2.907   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   30                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11   25                                             
CONECT   10    9                                                            
CONECT   11    9   12   30                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   14   20   25   28                                             
CONECT   20   19   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23    9   19                                                  
CONECT   26   21   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   19   29                                                  
CONECT   29   28                                                            
CONECT   30   11    5   31   32                                             
CONECT   31   30                                                            
CONECT   32   30                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

View in JSmol

Synonyms

Value	Source
6-(Acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0,.0,]hexadecan-2-yl acetic acid	Generator
6-(Acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetic acid	Generator

Chemical Formula

C₂₄H₃₆O₈

Average Mass

452.5440 Da

Monoisotopic Mass

452.24102 Da

IUPAC Name

6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate

Traditional Name

6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OC1C(O)C2C(C)(C)C(OC(C)=O)C(O)CC2(C)C2C(O)CC3CC12C(O)C3=C

InChI Identifier

InChI=1S/C24H36O8/c1-10-13-7-14(27)17-23(6)9-15(28)20(31-11(2)25)22(4,5)18(23)16(29)21(32-12(3)26)24(17,8-13)19(10)30/h13-21,27-30H,1,7-9H2,2-6H3

InChI Key

YTMAAGLOBUUNPD-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Isodon angustifolius	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Kaurane diterpenoids

Alternative Parents

Substituents

Kaurane diterpenoid
Dicarboxylic acid or derivatives
Cyclic alcohol
Secondary alcohol
Carboxylic acid ester
Polyol
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	0.28	ALOGPS
logP	-0.42	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	13.51	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	133.52 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	112.58 m³·mol⁻¹	ChemAxon
Polarizability	47.56 Å³	ChemAxon
Number of Rings	4	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

73105897

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate (NP0250732)

MOL for NP0250732 (6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate)

3D MOL for NP0250732 (6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate)

3D SDF for NP0250732 (6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate)

3D-SDF for NP0250732 (6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate)

PDB for NP0250732 (6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate)

3D PDB for NP0250732 (6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate)

SMILES for NP0250732 (6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate)

INCHI for NP0250732 (6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate)

Structure for NP0250732 (6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate)

3D Structure for NP0250732 (6-(acetyloxy)-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate)