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雀舌黄杨碱B
Buxbodine B
9,19-Cyclopregn-1-en-3-one, 20-(dimethylamino)-16-hydroxy-4,4,14-trimethyl-, (5α,9β,16β,20S)-, (5α,9β,16β,20S)-20-(Dimethylamino)-16-hydroxy-4,4,14-trimethyl-9,19-cyclopregn-1-en-3-one
CAS号: 390362-51-3
IUPAC名称: (1S,3S,8R,11S,12S,14S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-en-6-one
分子式: C26H41NO2
分子量: 399.609
InChI: InChI=1S/C26H41NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h10-11,16-19,21,28H,8-9,12-15H2,1-7H3/t16-,17-,18-,19-,21-,23+,24-,25+,26-/m0/s1
InChIKey: NZZQZWQHKWTQRO-YKKKOGGMSA-N
SMILES: C[C@@H]([C@H]1[C@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)C=CC(=O)C5(C)C)C)C)O)N(C)C
EINECS: -
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