Structure Database (LMSD)

Common Name
(24R)-24-methylcycloart-25-en-3beta-ol
Systematic Name
(24R)-24-methyl-9β,19-cyclolanost-25-en-3β-ol
Synonyms
  • (24R)-24-Methylcycloarta-8,25-dien-3-beta-ol
  • (24R)-24-methylcycloart-25-en-3beta-ol
  • (3beta,9beta,24R)-24-methyl-9,19-cyclolanost-25-en-3-ol
LM ID
LMST01100010
Formula
C31H52O
Exact Mass
Calculate m/z
440.401815
Sum Composition
ST 31:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cycloartanols and derivatives [ST0110]

String Representations

InChiKey (Click to copy)
IXHACUTUTOCSJE-CUIMAKJMSA-N
InChi (Click to copy)
InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h21-26,32H,1,9-19H2,2-8H3/t21-,22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
SMILES (Click to copy)
C1C[C@H](O)C(C)(C)[C@]2([H])CC[C@]3([H])[C@@]4(C[C@@]421)CC[C@]1(C)[C@@]([H])([C@H](C)CC[C@@H](C)C(C)=C)CC[C@]13C

Other Databases

KEGG ID
C11513
CHEBI ID
15576
PubChem CID
5460418
SwissLipids ID
SLM:000000472

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 489.21
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.70
Molar Refractivity 135.78

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Created at
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Updated at
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