25-Methoxyalisol A

CAS	155801-00-6
Synonyms	(8alpha,9beta,11beta,14beta,23S,24R)-11,23,24-Trihydroxy-25-methoxydammar-13(17)-en-3-one
IUPAC Name	(5R,8S,9S,10S,11S,14R)-17-[(2R,4S,5R)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Weight	504.74
Molecular Formula	C31H52O5
Canonical SMILES	C[C@H](C[C@@H]([C@H](C(C)(C)OC)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
InChI	InChI=1S/C31H52O5/c1-18(16-22(33)26(35)28(4,5)36-9)19-10-14-30(7)20(19)17-21(32)25-29(6)13-12-24(34)27(2,3)23(29)11-15-31(25,30)8/h18,21-23,25-26,32-33,35H,10-17H2,1-9H3/t18-,21+,22+,23+,25+,26-,29+,30+,31+/m1/s1
InChI Key	GSXGAZVWBLDJCJ-HQLNBPMCSA-N
Boiling Point	618.0±55.0 °C
Purity	98%
Density	1.11±0.1 g/ml
Appearance	Powder