Description
IUPAC Name: (1S,2S,4S,5’R,6R,7S,8R,9S,12S,13R,14R,16R)-5′,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2′-oxane]-14,16-diol
InChI: InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey: QMQIQBOGXYYATH-IDABPMKMSA-N
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)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([C@@H](C[C@@H](C6)O)O)C)C)C)OC1
Synonyms: Ruscogenin; 472-11-7; C27H42O4; BXI92R2VUJ; CHEBI:8913; (1beta,3beta,25R)-Spirost-5-ene-1,3-diol; (25R)-spirost-5-en-1beta,3beta-diol; UNII-BXI92R2VUJ; …
Botanical Source: Ophiopogonis Radix