Chem
J-GLOBAL ID:200907008846885383   Nikkaji number:J2.522.948G

(4aR,10R)-2,7-[(5R,6S)-5,6-Diacetoxyoctane-1,8-diyl]-5-(β-carboline-1-yl)-10-vinyl-11-(5-hexenyl)-8α,8aα-(epiminoethano)-1,2,3,4,4aα,7,8,8a-octahydroisoquinoline-7α-ol

(4aR,10R)-2,7-[(5R,6S)-5,6-ジアセトキシオクタン-1,8-ジイル]-5-(β-カルボリン-1-イル)-10-ビニル-11-(5-ヘキセニル)-8α,8aα-(エピミノエタノ)-1,2,3,4,4aα,7,8,8a-オクタヒドロイソキノリン-7α-オール
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: C42H54N4O5
Molecular formula furigana: C42-H54-N4-O5
Molecular weight: 694.917
InChI: InChI=1S/C42H54N4O5/c1-5-7-8-12-23-46-30(6-2)25-41-27-45-22-13-11-16-36(50-28(3)47)37(51-29(4)48)17-20-42(49,40(41)46)26-33(34(41)19-24-45)38-39-32(18-21-43-38)31-14-9-10-15-35(31)44-39/h5-6,9-10,14-15,18,21,26,30,34,36-37,40,44,49H,1-2,7-8,11-13,16-17,19-20,22-25,27H2,3-4H3/t30-,34-,36+,37-,40+,41-,42-/m0/s1
InChI key: BYYTYOZLOPZDKY-KKXALTCQSA-N
SMILES: CC(=O)O[C@@H]1CCCCN2CC[C@H]3C(=C[C@@](O)(CC[C@@H]1OC(=O)C)[C@@H]1N(CCCCC=C)[C@H](C[C@]31C2)C=C)c1nccc2c3ccccc3[nH]c12
Systematic name  (3):
  • (4aR,10R)-2,7-[(5R,6S)-5,6-ジアセトキシオクタン-1,8-ジイル]-5-(β-カルボリン-1-イル)-10-ビニル-11-(5-ヘキセニル)-8α,8aα-(エピミノエタノ)-1,2,3,4,4aα,7,8,8a-オクタヒドロイソキノリン-7α-オール
  • (1R,9R,10S,13S,14R,16R,18R)-9-(アセチルオキシ)-16-エテニル-15-(ヘキサ-5-エン-1-イル)-13-ヒドロキシ-19-{9H-ピリド[3,4-b]インドール-1-イル}-4,15-ジアザテトラシクロ[11.5.2.14,18.014,18]ヘンイコサ-19-エン-10-イル アセタート
  • (1R,9R,10S,13S,14R,16R,18R)-9-(acetyloxy)-16-ethenyl-15-(hex-5-en-1-yl)-13-hydroxy-19-{9H-pyrido[3,4-b]indol-1-yl}-4,15-diazatetracyclo[11.5.2.14,18.014,18]henicos-19-en-10-yl acetate
Other name (1):
  • (4aR,10R)-2,7-[(5R,6S)-5,6-Diacetoxyoctane-1,8-diyl]-5-(β-carboline-1-yl)-10-vinyl-11-(5-hexenyl)-8α,8aα-(epiminoethano)-1,2,3,4,4aα,7,8,8a-octahydroisoquinoline-7α-ol
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