Structure Database (LMSD)

Common Name
5, 20(22)-cholestadienol
Systematic Name
Cholesta-5, 20(22)E-dien-3β-ol
Synonyms
  • 5, 20(22)-cholestadien-3beta-ol
LM ID
LMST01010350
Formula
C27H44O
Exact Mass
Calculate m/z
384.339215
Sum Composition
ST 27:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

String Representations

InChiKey (Click to copy)
BWXPSPNRVJBBAK-WLMKBGEWSA-N
InChi (Click to copy)
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h8-9,18,21-25,28H,6-7,10-17H2,1-5H3/b19-8+/t21-,22-,23+,24-,25-,26-,27+/m0/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])(/C(/C)=C/CCC(C)C)CC[C@@]21[H])[H]

Other Databases

PubChem CID
21598310

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 429.73
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.60
Molar Refractivity 119.54

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Created at
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Updated at
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