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箭毒蛙毒素A 20α-苯甲酸酯
Batrachotoxinin benzoate
Batrachotoxinin A,20-benzoate, Btxb cpd, Bta-20-AB
CAS号: 78870-19-6
IUPAC名称: [(1S)-1-[(5R,6S,9S,12R)-9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl] benzoate
分子式: C31H39NO6
分子量: 521.64400
InChI: InChI=1S/C31H39NO6/c1-20(37-26(34)21-7-5-4-6-8-21)23-11-12-30-24-10-9-22-17-29(35)14-13-27(22,2)31(24,38-29)25(33)18-28(23,30)19-32(3)15-16-36-30/h4-8,10-11,20,22,25,33,35H,9,12-19H2,1-3H3/t20-,22+,25+,27-,28?,29-,30?,31?/m0/s1
InChIKey: BQDUFJGPBNLKPK-VJUNSIHQSA-N
SMILES: C[C@@H](C1=CCC23C1(C[C@H](C45C2=CC[C@H]6[C@@]4(CC[C@@](C6)(O5)O)C)O)CN(CCO3)C)OC(=O)C7=CC=CC=C7
EINECS: -
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