Sarsasapogenin

Catalog	BBC82597748
CAS	82597-74-8
Structure
Synonyms	Sarsasapogenin;Sarsaponin
IUPAC Name	(1R,2S,4S,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
Molecular Weight	416.64
Molecular Formula	C27H44O3
Canonical SMILES	C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5[C@@]4(CCC(C5)O)C)C)O[C@]16CCC(CO6)C
InChI	InChI=1S/C27H44O3/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/h16-24,28H,5-15H2,1-4H3/t16?,17-,18?,19?,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChI Key	GMBQZIIUCVWOCD-NRBCCYJRSA-N
Boiling Point	516.6±20.0 °C
Melting Point	>187 °C (dec.)
Purity	98%
Density	1.11±0.1 g/ml
Appearance	Powder
pKa	15.14±0.70