Structure database (LMSD)

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LM IDLMST01080042
Common NamePrazerigenin A
Systematic Name(25R)-spirost-5-en-3β,14α-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 CID13833781
InChIKeyWWHAXDOZLPIUEY-SLPSHSHKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H42O4/c1-16-7-12-27(30-15-16)17(2)23-22(31-27)14-26(29)21-6-5-18-13-19(28)8-10-24(18,3)20(21)9-11-25(23,26)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17+,19+,20+,21-,22+,23+,24+,25-,26-,27-/m1/s1
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SMILES
C1[C@H](O)CC2[C@@](C)([C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@]6(O[C@H]5C[C@@]4(O)[C@]3([H])CC=2)CC[C@@H](C)CO6)C)C1
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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
 logP6.26Molar
Refractivity
121.70