Structure Database (LMSD)
Common Name
Cathasterone
Systematic Name
6-oxo-campestan-3β,22S-diol
Synonyms
LM ID
LMST01030132
Status
Active
Exact Mass
Calculate m/z
432.360345
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
JSVPGVHCEQDJCZ-VGEHDTSWSA-N
InChi (Click to copy)
InChI=1S/C28H48O3/c1-16(2)17(3)13-25(30)18(4)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-25,29-30H,7-15H2,1-6H3/t17-,18+,19+,20+,21-,22+,23+,24-,25+,27-,28-/m1/s1
SMILES (Click to copy)
[C@]12(CC(=O)[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])[C@@H](O)C[C@@H](C)C(C)C)CC[C@@]21[H])[H]
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Catharanthus roseus
(#4058)
Magnoliopsida
(#3398)
Identification of a New Brassinosteroid, Cathasterone, in Cultured Cells of Catharanthus roseus as a Biosynthetic Precursor of Teasterone,
Biosci Biotech Biochem, 1995
Biosci Biotech Biochem, 1995
DOI:
10.1271/bbb.59.1543
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
467.25
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
6.44
Molar Refractivity
126.43
Admin
Created at
-
Updated at
21st Dec 2022