Structure Database (LMSD)
Common Name
Chabrosterol
Systematic Name
7-oxo-24-methylene-19-nor-cholest-5(10)-en-3β-ol
Synonyms
- 7-oxo-19-nor-ergost-5(10),24(28)-dien-3beta-ol
- 3beta-hydroxy-19-nor-ergost-5(10),24(28)-dien-7-one
LM ID
LMST01031105
Formula
Exact Mass
Calculate m/z
398.31848
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Chabrosterol
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)
HCAOCWWIFOSXAJ-VNESDUEWSA-N
InChi (Click to copy)
InChI=1S/C27H42O2/c1-16(2)17(3)6-7-18(4)23-10-11-24-26-22(12-13-27(23,24)5)21-9-8-20(28)14-19(21)15-25(26)29/h16,18,20,22-24,26,28H,3,6-15H2,1-2,4-5H3/t18-,20+,22-,23-,24+,26-,27-/m1/s1
SMILES (Click to copy)
[C@@]12(C)[C@@]([H])([C@]([H])(C)CCC(=C)C(C)C)CC[C@@]1([H])[C@]1([H])C(=O)CC3C[C@@H](O)CCC=3[C@@]1([H])CC2
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Nephthea
(#2632405)
Anthozoa
(#6101)
Marine natural products.,
Nat Prod Rep, 2011
Nat Prod Rep, 2011
Pubmed ID:
21152619
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
435.88
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.77
Molar Refractivity
119.93
Admin
Created at
-
Updated at
-