Chem
J-GLOBAL ID:200907024672055527   Nikkaji number:J1.179.233B

4-O-Deacetyl-3-de(methoxycarbonyl)-3-(hydroxymethyl)vincaleukoblastine

4-O-デアセチル-3-デ(メトキシカルボニル)-3-(ヒドロキシメチル)ビンカロイコブラスチン
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: C43H56N4O7
Molecular formula furigana: C43-H56-N4-O7
Molecular weight: 740.942
InChI: InChI=1S/C43H56N4O7/c1-6-39(51)21-26-22-42(38(50)54-5,34-28(13-17-46(23-26)24-39)27-11-8-9-12-31(27)44-34)30-19-29-32(20-33(30)53-4)45(3)36-41(29)15-18-47-16-10-14-40(7-2,35(41)47)37(49)43(36,52)25-48/h8-12,14,19-20,26,35-37,44,48-49,51-52H,6-7,13,15-18,21-25H2,1-5H3/t26-,35+,36-,37-,39+,40-,41-,42+,43+/m1/s1
InChI key: RCJITNWVKKALTM-GXACGGCKSA-N
SMILES: CC[C@]1(O)C[C@H]2CN(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](O)[C@]1(O)CO
Systematic name  (3):
  • 4-O-デアセチル-3-デ(メトキシカルボニル)-3-(ヒドロキシメチル)ビンカロイコブラスチン
  • メチル (13S,15S,17S)-17-エチル-13-[(1R,9R,10R,11R,12R,19R)-12-エチル-10,11-ジヒドロキシ-10-(ヒドロキシメチル)-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-4-イル]-17-ヒドロキシ-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-カルボキシラート
  • methyl (13S,15S,17S)-17-ethyl-13-[(1R,9R,10R,11R,12R,19R)-12-ethyl-10,11-dihydroxy-10-(hydroxymethyl)-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Other name (1):
  • 4-O-Deacetyl-3-de(methoxycarbonyl)-3-(hydroxymethyl)vincaleukoblastine
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