Description
IUPAC Name: (1S,2S,4S,5’R,6R,7S,8R,9S,12S,13R,16S)-5′,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2′-oxane]-16-ol
InChI: InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey: WQLVFSAGQJTQCK-VKROHFNGSA-N
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
Isomeric SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
Synonyms: DIOSGENIN; 512-04-9; Nitogenin; (3beta,25R)-spirost-5-en-3-ol; Diosgenine; UNII-K49P2K8WLX; K49P2K8WLX; (20R,25R)-Spirost-5-en-3beta-ol; …
Botanical Source: Dioscoreae Nipponicae Rhizoma