Description
IUPAC Name: (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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-3,6,12-triol
InChI: InChI=1S/C30H52O5/c1-25(2)21(33)10-12-27(5)20-15-18(31)23-17(30(8)14-11-22(35-30)26(3,4)34)9-13-28(23,6)29(20,7)16-19(32)24(25)27/h17-24,31-34H,9-16H2,1-8H3/t17-,18+,19-,20+,21-,22+,23-,24-,27+,28+,29+,30-/m0/s1
InChIKey: XIGBHUXQOPWGDK-HTGHARJWSA-N
Canonical SMILES: CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)O)C)O)C
Isomeric SMILES: C[C@]1(CC[C@@H](O1)C(C)(C)O)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O)C)O)C
Synonyms: 20(S),24(R)-Ocotillol; 69926-31-4; (20S)-Protopanaxatriol oxide I; (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S,5R)-5-(2-Hydroxypropan-2-yl)-2-methyloxolan-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-3,6,12-triol; HY-N6262; AKOS040760203; FS-8122; DA-69705; …
Botanical Source: Ginseng Radix Et Rhizoma