Structure Database (LMSD)
Common Name
24-epibrassicasterol
Systematic Name
campesta-5,22E-dien-3β-ol
Synonyms
- Pincasterol
- Crinosterol
3D model of 24-epibrassicasterol
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
Comatula
(#1320698)
Crinoidea
(#35069)
Crinosterol: a unique sterol from a comatulid crinoid.,
Nature, 1967
Nature, 1967
Pubmed ID:
6030051
String Representations
InChiKey (Click to copy)
OILXMJHPFNGGTO-SDMVIZLASA-N
InChi (Click to copy)
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
447.03
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
7.70
Molar Refractivity
124.02
Admin
Created at
-
Updated at
25th Feb 2025