Structure database (LMSD)

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LM IDLMST01010206
Common Name5α-cholesta-7,24-dien-3β-ol
Systematic Name5α-cholesta-7,24-dien-3β-ol
Synonyms(3β,5α)-cholesta-7,24-dien-3-ol; 5α-Cholesta-7,24-dien-3β-ol; cholesta-7,24-
dien-3-ol
Exact Mass
384.3392 (neutral)    Calculate m/z:
FormulaC27H44O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID5459827
KEGG IDC05439
CHEBI ID16290
SWISSLIPIDS IDSLM:000000469
InChIKeyPKEPPDGGTSZLBL-SKCNUYALSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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/h7,10,19-21,23-25,28H,6,8-9,11-17H2,1-5H3/t19-,20+,21+,
23-,24+,25+,26+,27-/m1/s1
SMILESC12[C@]([C@]3(C)[C@](CC=1)([H])C[C@@H](O)CC3)([H])CC[C@]1(C)[C@@]([H])([C@H](C)C
C/C=C(/C)\C)CC[C@@]21[H]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings4Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
429.73Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.60Molar
Refractivity
119.54