22-Dehydroclerosteryl Acetate

CAS	28594-00-5
Structure
Synonyms	(24S)-Ethylcholesta-5,22,25-trien-3beta-yl acetate
IUPAC Name	[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Weight	452.72
Molecular Formula	C31H48O2
Canonical SMILES	CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(=C)C
InChI	InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChI Key	MOEVEIGHSLNJAI-RRXMTBKISA-N
Boiling Point	517.4±29.0 °C
Purity	98%
Density	1.00±0.1 g/ml
Appearance	Solid