Stigmasterol

Catalog	BBC83487
CAS	83-48-7
Structure
Synonyms	Stigmasta-5,22-dien-3b-ol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Weight	412.7
Molecular Formula	C29H48O
Canonical SMILES	CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
InChI	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChI Key	HCXVJBMSMIARIN-PHZDYDNGSA-N
Boiling Point	472.07 °C
Melting Point	165-167 °C(lit.)
Purity	98%
Density	0.9639 g/cm³
Solubility	Very soluble in benzene, ethyl ether, ethanol
Appearance	White powder
Storage	-20 °C
pKa	15.03±0.70(Predicted)
Refractive Index	1.5000
Solubility in Water	Insoluble