Chem
J-GLOBAL ID:200907051843340133   Nikkaji number:J265.076B

(5α,5′α,8′α,12β,12′β,19α,19′α)-2,2′,3,3′,6,6′,7,7′-Octadehydro-8-hydroxy-7,8′-biaspidospermidine-3,3′-dicarboxylic acid dimethyl ester

(5α,5′α,8′α,12β,12′β,19α,19′α)-2,2′,3,3′,6,6′,7,7′-オクタデヒドロ-8-ヒドロキシ-7,8′-ビアスピドスペルミジン-3,3′-ジカルボン酸ジメチル
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: C42H46N4O5
Molecular formula furigana: C42-H46-N4-O5
Molecular weight: 686.853
InChI: InChI=1S/C42H46N4O5/c1-5-39-16-15-31(45-19-17-41(37(39)45)27-11-7-9-13-29(27)43-32(41)25(22-39)35(48)50-3)24-21-40(6-2)23-26(36(49)51-4)33-42(18-20-46(34(24)47)38(40)42)28-12-8-10-14-30(28)44-33/h7-16,21,31,34,37-38,43-44,47H,5-6,17-20,22-23H2,1-4H3/t31-,34?,37-,38-,39-,40-,41-,42-/m0/s1
InChI key: CUFOZHUOWZMPMK-ZOOFCPRBSA-N
SMILES: CC[C@]12CC(=C3Nc4ccccc4[C@]43CCN([C@@H]14)[C@@H](C=C2)C1=C[C@@]2(CC)CC(=C3Nc4ccccc4[C@]43CCN([C@@H]24)C1O)C(=O)OC)C(=O)OC
Systematic name  (3):
  • (5α,5′α,8′α,12β,12′β,19α,19′α)-2,2′,3,3′,6,6′,7,7′-オクタデヒドロ-8-ヒドロキシ-7,8′-ビアスピドスペルミジン-3,3′-ジカルボン酸ジメチル
  • メチル (1R,12R,19S)-12-エチル-14-[(1R,12R,15S,19S)-12-エチル-10-(メトキシカルボニル)-8,16-ジアザペンタシクロ[10.6.1.01,9.02,7.016,19]ノナデカ-2,4,6,9,13-ペンタエン-15-イル]-15-ヒドロキシ-8,16-ジアザペンタシクロ[10.6.1.01,9.02,7.016,19]ノナデカ-2,4,6,9,13-ペンタエン-10-カルボキシラート
  • methyl (1R,12R,19S)-12-ethyl-14-[(1R,12R,15S,19S)-12-ethyl-10-(methoxycarbonyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaen-15-yl]-15-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
Other name (1):
  • (5α,5′α,8′α,12β,12′β,19α,19′α)-2,2′,3,3′,6,6′,7,7′-Octadehydro-8-hydroxy-7,8′-biaspidospermidine-3,3′-dicarboxylic acid dimethyl ester
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