Structure database (LMSD)

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LM IDLMST01010141
Common Name-
Systematic NameLanosta-7,9(11)-dien-3eta-ol
Synonyms-
Exact Mass
426.3862 (neutral)    Calculate m/z:
FormulaC30H50O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
AbbrevST 30:2;O
PubChem CID42608388
InChIKeyZCBDFGFNCFLBOL-XSPJTHKMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h12,15,20-22,25-26,31H,9-11,13-14,16-19H2,1-8H3/t21?,22-,25?,26+,28-,29-,30+/m1/s1
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SMILES
C1C[C@@]2(C3=CC[C@@]4([C@H](CC[C@@]4(C)C3=CCC2C(C)(C)[C@H]1O)C(C)CCCC(C)C)C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
481.63Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.62Molar
Refractivity
133.32