6-Oxocycloartan-3-beta-16-beta-diglucoside
Molecular Formula:
C42H68O13
InChI: InChI=1/C42H68O13/c1-20(2)9-8-10-21(3)28-23(52-36-33(50)31(48)29(46)24(17-43)53-36)16-40(7)26-15-22(45)35-38(4,5)27(55-37-34(51)32(49)30(47)25(18-44)54-37)11-12-42(35)19-41(26,42)14-13-39(28,40)6/h9,21,23-37,43-44,46-51H,8,10-19H2,1-7H3/t21-,23-,24u,25u,26-,27-,28?,29?,30?,31?,32?,33?,34?,35u,36?,37?,39u,40u,41-,42+/m0/s1
InChIKey: InChIKey=BEMGUNCUCSRZMJ-NDGXMAABBX
SMILES: CC(CCC=C(C)C)C1C(CC2(C1(CCC34C2CC(=O)C5C3(C4)CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)OC7C(C(C(C(O7)CO)O)O)O
Names:
NSC610999
6-Oxocycloartan-3-beta-16-beta-diglucoside
Registries:
PubChem CID 6398599
PubChem ID 8141961
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