Structure database (LMSD)

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LM IDLMST01100010
Common Name(24R)-24-methylcycloart-25-en-3β-ol
Systematic Name(24R)-24-methyl-9β,19-cyclolanost-25-en-3β-ol
Synonyms(24R)-24-Methylcycloarta-8,25-dien-3-β-ol;(24R)-24-methylcycloart-25-en-3β-
ol;(3β,9β,24R)-24-methyl-9,19-cyclolanost-25-en-3-ol
Exact Mass
440.4018 (neutral)    Calculate m/z:
FormulaC31H52O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCycloartanols and derivatives [ST0110]
PubChem CID5460418
KEGG IDC11513
CHEBI ID15576
SWISSLIPIDS IDSLM:000000472
InChIKeyIXHACUTUTOCSJE-CUIMAKJMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
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
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms32Rings5Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
489.21Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.70Molar
Refractivity
135.78