Structure database (LMSD)

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LM IDLMST01030140
Common Name-
Systematic Name14-nor-lanosta-5-en-3β-ol
Synonyms-
Exact Mass
414.3862 (neutral)    Calculate m/z:
FormulaC29H50O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassErgosterols and C24-methyl derivatives [ST0103]
PubChem CID42608404
InChIKeyDASOUCLGLBPXLC-RFFCGCGHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h14,19-24,26,30H,8-13,15-18H2,1-7H3/t20?,21?,22-,23?,24?,26+,28-,29-/m1/s1
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SMILES
C1C[C@]2(C)C3C(CC=C2C(C)(C)[C@H]1O)C1CC[C@H](C(C)CCCC(C)C)[C@@]1(C)CC3
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
466.97Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.31Molar
Refractivity
128.73