NSC676770
Molecular Formula:
C42H68O13
InChI: InChI=1/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-35-33(31(48)29(46)24(20-44)53-35)55-34-32(49)30(47)28(45)23(19-43)52-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22-,23u,24u,25-,26+,27-,28?,29?,30?,31?,32?,33?,34?,35?,39-,40+,41+,42-/m0/s1/f/h50H
InChIKey: InChIKey=LEQCLUFJRGKLOA-RUKBHQIHDM
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C
Names:
NSC676770
(4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Registries:
PubChem CID 385519
PubChem ID 8142442
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