Structure Database (LMSD)
Common Name
5-dihydrostigmasterol
Systematic Name
stigmast-22E-en-3β-ol
Synonyms
- (22E,24S)-24ethyl-5alpha-cholestan-3beta-ol
3D model of 5-dihydrostigmasterol
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
Bupleurum falcatum
(#46367)
Magnoliopsida
(#3398)
Studies on the Steroidal Components of Domestic Plants. XVIII. Components of the Root of Bupleurum falcatum L.,
Chem Pharm Bull (Tokyo) ., 1958
Chem Pharm Bull (Tokyo) ., 1958
DOI:
10.1248/cpb.6.536
String Representations
InChiKey (Click to copy)
CSVWWLUMXNHWSU-OYQPQXIVSA-N
InChi (Click to copy)
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,19-27,30H,7,10-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/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](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](O)C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
466.97
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
8.17
Molar Refractivity
128.66
Admin
Created at
-
Updated at
16th Jan 2024