Structure Database (LMSD)
Common Name
24-methylene-cycloartanol
Systematic Name
24-methylene-9β,19-cyclo-lanostan-3β-ol
Synonyms
3D model of 24-methylene-cycloartanol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Pisum sativum
(#3888)
Magnoliopsida
(#3398)
The biosynthesis of sterols in higher plants.,
Biochem J, 1966
Biochem J, 1966
Pubmed ID:
5964970
DOI:
10.1042/bj0990735
String Representations
InChiKey (Click to copy)
BDHQMRXFDYJGII-UEBIAWITSA-N
InChi (Click to copy)
InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]43C[C@@]14CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(=C)C(C)C)CC[C@@]21C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
5
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
489.21
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
8.70
Molar Refractivity
135.78
Admin
Created at
-
Updated at
8th Mar 2021