Structure database (LMSD)

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LM IDLMST01040167
Common NameSaringosterol
Systematic Name24-vinyl-cholest-5-ene-3β,24-diol
Synonyms-
Exact Mass
428.3654 (neutral)    Calculate m/z:
FormulaC29H48O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassStigmasterols and C24-ethyl derivatives [ST0104]
PubChem CID14161394
InChIKeyOPGVEUGCNGNPSX-SVSQYMGHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C29H48O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13
-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,2
2+,23+,24-,25+,26+,27+,28-,29?/m1/s1
SMILESC1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)(C=C)C(C)C)CC[C@@]4(
[H])[C@]3([H])CC=C2C[C@@H](O)C1
StatusActive
ReferencesMarine Sterols
R. G. Kerr and B. J. Baker
Marine sterols. Nat. Prod. Rep. 8, 465-497
Calculated physicochemical properties (?):
 Heavy Atoms31Rings4Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
473.12Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP7.49Molar
Refractivity
130.61