Spinasterol

Catalog	BBC481185
CAS	481-18-5
Structure
Synonyms	(22E)-5α-Stigmasta-7,22-dien-3β-ol
IUPAC Name	(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Weight	412.69
Molecular Formula	C29H48O
Canonical SMILES	CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](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/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChI Key	JZVFJDZBLUFKCA-FXIAWGAOSA-N
Boiling Point	500.0±44.0 °C
Melting Point	168-169 °C
Purity	98%
Density	0.98±0.1 g/ml
Appearance	Powder