Structure Database (LMSD)

H H H HO H H
Common Name
24-Isopropyl-cholesterol
Systematic Name
24-isopropyl-cholest-5-en-3β-ol
Synonyms
LM ID
LMST01050014
Formula
C30H52O
Exact Mass
Calculate m/z
428.401815
Sum Composition
ST 30:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
C24-propyl sterols and derivatives [ST0105]

String Representations

InChiKey (Click to copy)
MVDZEJXAUJRFGW-XKTYQPJFSA-N
InChi (Click to copy)
InChI=1S/C30H52O/c1-19(2)24(20(3)4)10-8-21(5)26-12-13-27-25-11-9-22-18-23(31)14-16-29(22,6)28(25)15-17-30(26,27)7/h9,19-21,23-28,31H,8,10-18H2,1-7H3/t21-,23+,25+,26-,27+,28+,29+,30-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(C(C)C)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Topsentia ophiraphidites (#281489)
Demospongiae (#6042)
Ophirasterol, a new C31 sterol from the marine sponge Topsentia ophiraphidites.,
Steroids, 2004
Pubmed ID: 15013687

Other Databases

CHEBI ID
173039
PubChem CID
14079080

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
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

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Updated at
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