NSC676777
Molecular Formula:
C68H108O33
InChI: InChI=1/C68H108O33/c1-26-48(95-58-45(82)49(33(73)25-91-58)96-55-41(78)37(74)29(69)21-88-55)51(98-57-43(80)39(76)31(71)23-90-57)47(84)59(93-26)100-53-40(77)32(72)24-92-61(53)101-62(86)68-18-16-63(2,3)20-28(68)27-10-11-35-65(6)14-13-36(64(4,5)34(65)12-15-67(35,8)66(27,7)17-19-68)94-60-46(83)50(44(81)52(99-60)54(85)87-9)97-56-42(79)38(75)30(70)22-89-56/h10,26,28-53,55-61,69-84H,11-25H2,1-9H3/t26u,28-,29?,30?,31?,32?,33?,34-,35+,36-,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52u,53?,55?,56?,57?,58?,59?,60?,61?,65-,66+,67+,68-/m0/s1
InChIKey: InChIKey=ZTRXMNCGKZORNF-ALEPOFHABF
SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)OC9C(C(C(CO9)O)O)O)O)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O
Names:
methyl 6-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bS)-8a-[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxy-oxan-2-yl]oxy-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxy-oxan-2-yl]oxy-4,5-dihydroxy-oxan-2-yl]oxycarbonyl-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]-3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxy-oxane-2-carboxylate
NSC676777
Registries:
PubChem CID 385525
PubChem ID 8142448
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