Description
IUPAC Name: (3S,6S,8R,9R,10R,12R,13R,14S,17S)-17-[(2S)-2,6-dihydroxy-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-3,6,12-triol
InChI: InChI=1S/C30H54O5/c1-25(2,34)12-9-13-30(8,35)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-35H,9-17H2,1-8H3/t18-,19+,20-,21+,22-,23-,24?,27+,28-,29+,30-/m0/s1
InChIKey: NGIMOASJKTUVOD-QCTPYYBUSA-N
Canonical SMILES: CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C(C)(CCCC(C)(C)O)O)C)O)C)O)C)O)C
Isomeric SMILES: C[C@]12CC[C@@H](C(C1[C@H](C[C@@]3([C@@H]2C[C@H]([C@H]4[C@@]3(CC[C@@H]4[C@](C)(CCCC(C)(C)O)O)C)O)C)O)(C)C)O
Synonyms: Dammaran pentol; Dammaran-3,6,12,20,25-pentol; 113539-03-0; (3S,6S,8R,9R,10R,12R,13R,14S,17S)-17-[(2S)-2,6-dihydroxy-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-3,6,12-triol; DTXSID60921101; Dammarane-3,6,12,20,25-pentol; 20(R)-Dammaran-3beta,6alpha,12beta,20,25-pentol; (1S,3aS,3bR,5S,7S,9aR,9bR,11R,11aR)-1-[(2S)-2,6-dihydroxy-6-methylheptan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthrene-5,7,11-triol
Botanical Source: Ginseng Radix Et Rhizoma