Structure database (LMSD)

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LM IDLMST01100008
Common Namecycloartenol (W)
Systematic Name9β,19-cyclolanost-24-en-3β-ol
Synonyms9β,19-Cyclo-24-lanosten-3β-ol; Cycloartenol; cycloartenol
Exact Mass
426.3862 (neutral)    Calculate m/z:
FormulaC30H50O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCycloartanols and derivatives [ST0110]
PubChem CID382580
KEGG IDC01902
CHEBI ID17030
SWISSLIPIDS IDSLM:000000471
InChIKeyONQRKEUAIJMULO-SPBTXPORSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-1
6-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3/t21?,22-,23+,2
4+,25+,27-,28+,29-,30+/m1/s1
SMILES[C@@]123CC[C@]4(C)[C@H](CC[C@@]4(C)[C@]1([H])CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C
3)O)C(C)CC/C=C(\C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings5Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
471.91Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.46Molar
Refractivity
131.23