Structure Database (LMSD)
Common Name
Obtusifoliol
Systematic Name
4α,14α-dimethyl-24-methylene-cholest-8-en-3β-ol
Synonyms
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