Description
IUPAC Name: (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
InChI: InChI=1S/C31H56O4/c1-26(2,35-9)14-10-15-31(8,34)20-11-17-30(7)25(20)21(32)19-23-28(5)16-13-24(33)27(3,4)22(28)12-18-29(23,30)6/h20-25,32-34H,10-19H2,1-9H3/t20-,21+,22-,23+,24-,25-,28-,29+,30+,31-/m0/s1
InChIKey: VKANVHXFBJQXLP-FOIYVWNTSA-N
Canonical SMILES: CC1(C2CCC3(C(C2(CCC1O)C)CC(C4C3(CCC4C(C)(CCCC(C)(C)OC)O)C)O)C)C
Isomeric SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CC[C@@H]4[C@](C)(CCCC(C)(C)OC)O)C)O)C)(C)C)O
Synonyms: 66007-93-0; DTXSID401338872; (1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)a1a[(2S)a2a hydroxya6amethoxya6amethylheptana2ayl]a 3a,3b,6,6,9aapentamethylahexadecahydroa1Ha cyclopenta[a]phenanthrenea7,11adiol
Botanical Source: Ginseng Radix Et Rhizoma