Chem
J-GLOBAL ID：200907079949547073   Nikkaji number：J265.075D

Voafrine B

ボアフリンB
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： C42H46N4O4
Molecular formula furigana： C42-H46-N4-O4
Molecular weight： 670.854
InChI： InChI=1S/C42H46N4O4/c1-5-39-16-15-32(46-20-18-42(38(39)46)29-12-8-10-14-31(29)44-34(42)26(22-39)35(47)49-3)25-21-40(6-2)23-27(36(48)50-4)33-41(17-19-45(24-25)37(40)41)28-11-7-9-13-30(28)43-33/h7-16,21,32,37-38,43-44H,5-6,17-20,22-24H2,1-4H3/t32-,37-,38-,39-,40-,41-,42-/m0/s1
InChI key： UAMRAMXGKGINMS-MRKSVKKXSA-N
SMILES： CC[C@]12CC(=C3Nc4ccccc4[C@]43CCN([C@@H]14)[C@@H](C=C2)C1=C[C@@]2(CC)CC(=C3Nc4ccccc4[C@]43CCN(C1)[C@@H]24)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-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,15S,19S)-12-エチル-15-[(1R,12R,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-14-イル]-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-10-カルボキシラート
  • methyl (1R,12R,15S,19S)-12-ethyl-15-[(1R,12R,19S)-12-ethyl-10-(methoxycarbonyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaen-14-yl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
Other name (3)：
  • ボアフリンB
  • Voafrine B
  • (5α,5′α,8′α,12β,12′β,19α,19′α)-2,2′,3,3′,6,6′,7,7′-Octadehydro-7,8′-biaspidospermidine-3,3′-dicarboxylic acid dimethyl ester
CAS registry number： 88824-28-6
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