Structure Database (LMSD)
Common Name
Obtusifoliol
Systematic Name
4α,14α-dimethyl-24-methylene-cholest-8-en-3β-ol
Synonyms
3D model of Obtusifoliol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
MMNYKQIDRZNIKT-VSADUBDNSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h19,21-24,27,31H,3,9-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=C)C(C)C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@H](C)[C@@H](O)C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Brassica napus
(#3708)
Magnoliopsida
(#3398)
Two new 4alpha-methylsterols in the seeds of Brassica napus,
Phytochemistry, 1977
Phytochemistry, 1977
Euphorbia
(#3990)
Magnoliopsida
(#3398)
The Canary Islands Euphorbia Latex. V. Euphorbia Obtusifolia
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
481.63
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
8.62
Molar Refractivity
133.32
Admin
Created at
-
Updated at
19th Jul 2021