16-alpha-hydroxygypsogenate-28-beta-D-glucoside

Chemical Formula:

C₃₆H₅₅O₁₁

Molecular Weight:

663.824 Daltons

Monoisotopic Mass:

664.3822626407 Daltons

SMILES:

CC5(CCC4(C(CC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C(=O)[O-])O)C))C))C4C5)C)O)C(=O)OC6(C(C(C(C(CO)O6)O)O)O))C

InChI:

1S/C36H56O11/c1-31(2)13-14-36(30(45)47-28-27(42)26(41)25(40)20(17-37)46-28)19(15-31)18-7-8-21-32(3)11-10-23(38)35(6,29(43)44)22(32)9-12-33(21,4)34(18,5)16-24(36)39/h7,19-28,37-42H,8-17H2,1-6H3,(H,43,44)/p-1/t19?,20?,21?,22?,23-,24?,25+,26-,27-,28?,32+,33+,34+,35-,36+/m0/s1

InChIKey:

HLXPBKFHRUAJIQ-IJOZASFTSA-M

Synonyms

16-alpha--hydroxygypsogenic acid-28-beta-D-glucoside

Databases

MetaCyc: CPD-9477

PubChem (CID): 25243992

Seed: cpd25699

MetaNetX: MNXM14018