Diosgenin

Catalog	BBC512049
CAS	512-04-9
Structure
Synonyms	Diosgemom
IUPAC Name	(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
Molecular Weight	414.63
Molecular Formula	C27H42O3
Canonical SMILES	CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
InChI	InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChI Key	WQLVFSAGQJTQCK-VKROHFNGSA-N
Boiling Point	473.46 °C
Melting Point	205-208 °C
Flash Point	272.6 °C
Purity	98%
Density	1.0483 g/cm³
Appearance	White to pale yellow solid
Storage	2-8 °C
pKa	15.02±0.70(Predicted)
Refractive Index	1.4700