Chem
J-GLOBAL ID：201207083552876812   Nikkaji number：J3.054.674A

(2β,5α,12β,19α)-1-Methyl-3-hydroxy-4β-acetoxy-16-methoxy-15-[20β-hydroxy-23β-(methoxycarbonyl)-15-desethyl-2,14-ethano-2,3-secocorynan-23-yl]-6,7-didehydroaspidospermidine-3α-carboxylic acid methyl ester

(2β,5α,12β,19α)-1-メチル-3-ヒドロキシ-4β-アセトキシ-16-メトキシ-15-[20β-ヒドロキシ-23β-(メトキシカルボニル)-15-デスエチル-2,14-エタノ-2,3-セココリナン-23-イル]-6,7-ジデヒドロアスピドスペルミジン-3α-カルボン酸メチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C46H58N4O9
Molecular formula furigana： C46-H58-N4-O9
Molecular weight： 810.989
InChI： InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28?,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
InChI key： JXLYSJRDGCGARV-CUGARIAGSA-N
SMILES： CC[C@]1(O)CC2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@@]32CCN2CC=C[C@](CC)([C@@H]32)[C@@H](OC(=O)C)[C@]1(O)C(=O)OC
Systematic name  (3)：
  • (2β,5α,12β,19α)-1-メチル-3-ヒドロキシ-4β-アセトキシ-16-メトキシ-15-[20β-ヒドロキシ-23β-(メトキシカルボニル)-15-デスエチル-2,14-エタノ-2,3-セココリナン-23-イル]-6,7-ジデヒドロアスピドスペルミジン-3α-カルボン酸メチル
  • メチル (1R,9R,10S,11R,12R,19R)-11-(アセチルオキシ)-12-エチル-4-[(13S,17S)-17-エチル-17-ヒドロキシ-13-(メトキシカルボニル)-1,11-ジアザテトラシクロ[13.3.1.04,12.05,10]ノナデカ-4(12),5,7,9-テトラエン-13-イル]-10-ヒドロキシ-5-メトキシ-8-メチル-8,16-ジアザペンタシクロ[10.6.1.01,9.02,7.016,19]ノナデカ-2(7),3,5,13-テトラエン-10-カルボキシラート
  • methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
Other name (1)：
  • (2β,5α,12β,19α)-1-Methyl-3-hydroxy-4β-acetoxy-16-methoxy-15-[20β-hydroxy-23β-(methoxycarbonyl)-15-desethyl-2,14-ethano-2,3-secocorynan-23-yl]-6,7-didehydroaspidospermidine-3α-carboxylic acid methyl ester
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