NSC676790
Molecular Formula:
C58H92O26
InChI: InChI=1/C58H92O26/c1-23-43(81-48-40(69)35(64)28(22-77-48)79-47-39(68)33(62)26(59)20-75-47)38(67)42(71)49(78-23)83-45-34(63)27(60)21-76-51(45)84-52(73)58-17-16-53(2,3)18-25(58)24-10-11-30-55(6)14-13-32(80-50-41(70)36(65)37(66)44(82-50)46(72)74-9)54(4,5)29(55)12-15-56(30,7)57(24,8)19-31(58)61/h10,23,25-45,47-51,59-71H,11-22H2,1-9H3/t23u,25-,26?,27?,28?,29-,30+,31+,32-,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44u,45?,47?,48?,49?,50?,51?,55-,56+,57+,58+/m0/s1
InChIKey: InChIKey=DXDGYHVNDYHARV-QEZZBMDZBH
SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)OC1C(C(C(CO1)O)O)O)O)O
Names:
methyl 6-[[(3S,4aR,6aR,6bS,8R,8aR,12aR,14aR,14bS)-8a-[3-[5-[3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxy-oxan-2-yl]oxy-3,4-dihydroxy-6-methyl-oxan-2-yl]oxy-4,5-dihydroxy-oxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylate
NSC676790
Registries:
PubChem CID 385534
PubChem ID 8142454
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