Catalog Number:
AG00FIMA
Chemical Name:
5ALPHA-HYDROXY-6BETA-METHYLTIGOGENIN
CAS Number:
73927-85-2
Molecular Formula:
C28H46O4
Molecular Weight:
446.6624
MDL Number:
MFCD00022316
IUPAC Name:
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19R)-5',7,9,13,19-pentamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,18-diol
InChI:
InChI=1S/C28H46O4/c1-16-6-11-28(31-15-16)18(3)24-23(32-28)13-22-20-12-17(2)27(30)14-19(29)7-10-26(27,5)21(20)8-9-25(22,24)4/h16-24,29-30H,6-15H2,1-5H3/t16-,17-,18+,19+,20-,21+,22+,23+,24+,25+,26-,27+,28-/m1/s1
InChI Key:
KEOLCBLQBIWDBI-CYVQKCQYSA-N
SMILES:
C[C@@H]1CC[C@@]2(OC1)OC1C([C@@H]2C)C2(C(C1)C1CC(C)[C@@]3(C(C1CC2)(C)CCC(C3)O)O)C
