Description
IUPAC Name: (1S,2S,4S,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+/m0/s1
InChIKey: QMQIQBOGXYYATH-ZBTLHKOBSA-N
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)O)C)C)C)OC1
Isomeric SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@@H](C[C@@H](C5)O)O)C)C)O[C@]16CCC(CO6)C
Synonyms: (25RS)-Ruscogenin; 25(R,S)-Ruscogenin; 874485-32-2; (1S,2S,4S,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; HY-N5136; AKOS040758800; DA-69724; MS-27661; …
Botanical Source: