Structure Database (LMSD)

Systematic Name
4α,23,24-Trimethyl-5α-cholest-17(20)-en-3β-ol
Synonyms
LM ID
LMST01030142
Formula
C30H52O
Exact Mass
Calculate m/z
428.401815
Sum Composition
ST 30:1;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Ergosterols and C24-methyl derivatives [ST0103]

String Representations

InChiKey (Click to copy)
KNPKKSRQOSDIJN-UAEWGDPZSA-N
InChi (Click to copy)
InChI=1S/C30H52O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h18-19,21-23,25-28,31H,9-17H2,1-8H3/b24-20+/t19?,21?,22-,23?,25-,26?,27?,28-,29+,30-/m0/s1
SMILES (Click to copy)
[C@H]1([C@H]([C@]2([H])CCC3C4[C@@](/C(=C(/CC(C)C(C)C(C)C)\C)/CC4)(CCC3[C@]2(CC1)C)C)C)O

Other Databases

CHEBI ID
172995
PubChem CID
21775599

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 484.27
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.56
Molar Refractivity 133.28

Admin

Created at
-
Updated at
-