GINSENOSIDE A1

Molecular Formula: C42H72O14


InChI: InChI=1/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19u,20-,21+,22-,23u,24u,25-,26+,27-,28?,29?,30?,31?,32?,33?,34u,35?,36?,39+,40+,41+,42-/m0/s1

InChIKey: InChIKey=JBGYSAVRIDZNKA-RJJMGJQFBE
SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C6(CCC(O6)C(C)(C)O)C)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O

Names:
    GINSENOSIDE A1
    NSC308874
    2-[2-[[(3S,6S,8R,10S,12R,13S,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-oxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol
    69884-00-0

Registries:
    PubChem CID 5458669
    PubChem ID 8141080