Alisol B,23-acetate

Catalog	BBC26575951
CAS	26575-95-1
Structure
Synonyms	(8α,9β,14β,23S,24R)-11β-Hydroxy-23-acetoxy-24,25-epoxy-5α-dammara-13(17)-ene-3-one
IUPAC Name	[(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate
Molecular Weight	514.74
Molecular Formula	C32H50O5
Canonical SMILES	C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O
InChI	InChI=1S/C32H50O5/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1
InChI Key	NLOAQXKIIGTTRE-JSWHPQHOSA-N
Boiling Point	590.7±50.0 °C
Melting Point	162-163 °C
Purity	98%
Density	1.12±0.1 g/ml
Appearance	Powder