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抗痢鸦胆子苷A
Bruceantinoside A
Bruceantinoside A
CAS号: 79439-85-3
IUPAC名称: methyl (1R,2S,3R,6S,8S,9S,13S,14R,15R,16S,17R)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
分子式: C34H46O16
分子量: 710.71900
InChI: InChI=1S/C34H46O16/c1-12(2)13(3)7-19(36)50-25-27-33-11-46-34(27,31(44)45-6)28(42)24(41)26(33)32(5)9-16(20(37)14(4)15(32)8-18(33)49-29(25)43)47-30-23(40)22(39)21(38)17(10-35)48-30/h7,9,12,14-15,17-18,21-28,30,35,38-42H,8,10-11H2,1-6H3/b13-7+/t14-,15-,17+,18-,21+,22-,23+,24+,25+,26+,27+,28-,30+,32-,33+,34+/m0/s1
InChIKey: ASHBUMOFZXVPPC-IBUAVMITSA-N
SMILES: C[C@H]1[C@@H]2C[C@H]3[C@@]45CO[C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)OC
EINECS: -
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