Structure database (LMSD)

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LM IDLMST01040147
Common Name-
Systematic Name4-methyl-stigmastan-3β-ol
Synonyms-
Exact Mass
430.4175 (neutral)    Calculate m/z:
FormulaC30H54O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassStigmasterols and C24-ethyl derivatives [ST0104]
AbbrevST 30:0;O
PubChem CID42608413
InChIKeyIUVIXFVDMWHMDU-WBYCTTSNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H54O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-28,31H,8-18H2,1-7H3/t20?,21?,22-,23?,24-,25+,26?,27?,28+,29-,30+/m1/s1
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SMILES
O[C@H]1CC[C@@]2(C3CC[C@]4(C)[C@@H](C(CC[C@@H](CC)C(C)C)C)CCC4C3CC[C@@]2([H])C1C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings4Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
486.91Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.64Molar
Refractivity
133.30