Structure database (LMSD)

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LM IDLMST01080049
Common NameConvallamarogenin
Systematic Name5α-spirost-25(27)-en-1β,3β-diol
Synonyms-
Exact Mass
430.3083 (neutral)    Calculate m/z:
FormulaC27H42O4
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassSpirostanols and derivatives [ST0108]
AbbrevST 27:3;O4
PubChem CID176535
InChIKeyXLHFBXMTUNORSV-XLVIIDFLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
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SMILES
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StatusActive
ReferencesSTEROID SAPONINS
S. B. MAHATO, A. N. GANGULY and N. P. SAHU
Phytochemistry, Vol. 21, No. 5. pp. 959-978, 1982
Calculated physicochemical properties (?):
 Heavy Atoms31Rings6Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
434.02Topological Polar
Surface Area
63.06Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.12Molar
Refractivity
121.63