NP-MRD: Showing NP-Card for 8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol (NP0221330)

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Record Information

Version

1.0

Created at

2022-09-05 22:52:41 UTC

Updated at

2022-09-05 22:52:41 UTC

NP-MRD ID

NP0221330

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol

Description

Myricadiol belongs to the class of organic compounds known as scalarane sesterterpenoids. These are sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions. 8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol is found in Morella cerifera, Morella nana, Morella rubra, Scaevola taccada, Scaevola spinescens and Tamarix aphylla. It was first documented in 2000 (PMID: 11413487). Myricadiol is an extremely weak basic (essentially neutral) compound (based on its pKa) (PMID: 16902246) (PMID: 17374880) (PMID: 20044567).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241215272D          

 32 36  0  0  0  0            999 V2000
    1.4284    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4284    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4284   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134   -2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5720    0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6127    2.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6741    2.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5720   -2.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6729   -2.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126   -2.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -1.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  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 30  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END


  Mrv0541 02241215272D          

 32 36  0  0  0  0            999 V2000
    1.4284    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4284    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4284   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134   -2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5720    0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6127    2.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6741    2.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5720   -2.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6729   -2.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126   -2.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -1.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  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 30  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0221330

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)CCC2(CO)CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H50O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3

> <INCHI_KEY>
RJAKLUPHSBOQNU-UHFFFAOYSA-N

> <FORMULA>
C30H50O2

> <MOLECULAR_WEIGHT>
442.7168

> <EXACT_MASS>
442.381080844

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
55.18767324992427

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol

> <ALOGPS_LOGP>
6.55

> <JCHEM_LOGP>
6.122369677666668

> <ALOGPS_LOGS>
-6.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.48943324166892

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.952953776161564

> <JCHEM_PKA_STRONGEST_BASIC>
-0.6357605301778907

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
133.682

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.69e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       2.666   3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.666   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.666  -1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.332   0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.332  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.666  -1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.666   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.666  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.332  -3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000  -1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.336   3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.336   1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.336   0.000   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.668   0.770   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.010   5.030   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.992   5.030   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.333  -1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.333  -3.080   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -6.668  -3.850   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -4.989  -5.030   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.001  -3.850   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.010  -5.030   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.088  -2.628   0.000  0.00  0.00           C+0
CONECT    1    2   23                                                       
CONECT    2    1    3   19                                                  
CONECT    3    2    4    7    8                                             
CONECT    4    3                                                            
CONECT    5    6   19                                                       
CONECT    6    5    7                                                       
CONECT    7    3    6   16                                                  
CONECT    8    3    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   16                                                  
CONECT   11   10   12   13   25                                             
CONECT   12   11                                                            
CONECT   13   11   14   30                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16    7   10   15   32                                             
CONECT   17   18   23                                                       
CONECT   18   17   19                                                       
CONECT   19    2    5   18   20                                             
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   23                                                            
CONECT   23    1   17   22   24                                             
CONECT   24   23                                                            
CONECT   25   11   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   27                                                            
CONECT   29   30                                                            
CONECT   30   13   27   29   31                                             
CONECT   31   30                                                            
CONECT   32   16                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   72    0
END

View in JSmol

Synonyms

Value	Source
(3beta)-D-Friedoolean-14-ene-3,28-diol	HMDB
Myricardiol	HMDB

Chemical Formula

C₃₀H₅₀O₂

Average Mass

442.7168 Da

Monoisotopic Mass

442.38108 Da

IUPAC Name

8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol

Traditional Name

8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol

CAS Registry Number

Not Available

SMILES

CC1(C)CCC2(CO)CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1

InChI Identifier

InChI=1S/C30H50O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3

InChI Key

RJAKLUPHSBOQNU-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Morella cerifera	LOTUS Database	35616633
Morella nana	LOTUS Database	35616633
Morella rubra	LOTUS Database	35616633
Scaevola frutescens	LOTUS Database	35616633
Scaevola spinescens	LOTUS Database	35616633
Tamarix aphylla	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as scalarane sesterterpenoids. These are sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesterterpenoids

Direct Parent

Scalarane sesterterpenoids

Alternative Parents

Substituents

Scalarane sesterterpenoid
Cyclic alcohol
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
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	6.55	ALOGPS
logP	6.12	ChemAxon
logS	-6.1	ALOGPS
pKa (Strongest Acidic)	18.95	ChemAxon
pKa (Strongest Basic)	-0.64	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	133.68 m³·mol⁻¹	ChemAxon
Polarizability	55.19 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0034685

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB013214

KNApSAcK ID

C00030797

Chemspider ID

4159790

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

4979342

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
LOTUS database [Link]

Showing NP-Card for 8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol (NP0221330)

MOL for NP0221330 (8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol)

3D MOL for NP0221330 (8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol)

3D SDF for NP0221330 (8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol)

3D-SDF for NP0221330 (8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol)

PDB for NP0221330 (8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol)

3D PDB for NP0221330 (8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol)

SMILES for NP0221330 (8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol)

INCHI for NP0221330 (8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol)

Structure for NP0221330 (8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol)

3D Structure for NP0221330 (8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol)