Chem
J-GLOBAL ID：200907056755227965   Nikkaji number：J412.098A

Jasplakinolide

ジャスプラキノリド
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： C36H45BrN4O6
Molecular formula furigana： C36-H45-BR-N4-O6
Molecular weight： 709.682
InChI： InChI=1S/C36H45BrN4O6/c1-20-15-21(2)17-23(4)47-32(43)19-30(25-11-13-26(42)14-12-25)40-35(45)31(18-28-27-9-7-8-10-29(27)39-33(28)37)41(6)36(46)24(5)38-34(44)22(3)16-20/h7-15,21-24,30-31,39,42H,16-19H2,1-6H3,(H,38,44)(H,40,45)/b20-15+/t21-,22-,23-,24-,30+,31+/m0/s1
InChI key： GQWYWHOHRVVHAP-DHKPLNAMSA-N
SMILES： C[C@H]1C[C@@H](C)/C=C(\C)/C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
Systematic name  (5)：
  • Nα-メチル-2-ブロモシクロ[D-Trp-[(3R)-3-(4-ヒドロキシフェニル)-βAla-]-[(2S,4E,6R,8S)-1-オキソ-2,4,6-トリメチル-8-ヒドロキシ*-4-ノネニル]-L-Ala-]
  • [3S,6R,9R,13S,15R,19S,16E,(+)]-6-[(2-ブロモ-1H-インドール-3-イル)メチル]-9-(4-ヒドロキシフェニル)-3,5,13,15,17,19-ヘキサメチル-2,5,8-トリアザ-12-オキサシクロノナデカン-16-エン-1,4,7,11-テトラオン
  • (3S,6R,9R,13S,15R,16E,19S)-3,5,13,15,17,19-ヘキサメチル-6-[(2-ブロモ-1H-インドール-3-イル)メチル]-9-(4-ヒドロキシフェニル)-12-オキサ-2,5,8-トリアザシクロノナデカ-16-エン-1,4,7,11-テトラオン
  • (4R,7R,10S,13S,15E,17R,19S)-7-[(2-ブロモ-1H-インドール-3-イル)メチル]-4-(4-ヒドロキシフェニル)-8,10,13,15,17,19-ヘキサメチル-1-オキサ-5,8,11-トリアザシクロノナデカ-15-エン-2,6,9,12-テトラオン
  • (4R,7R,10S,13S,15E,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
Other name (8)：
  • (+)-ジャスプラキノリド
  • (+)-Jasplakinolide
  • [3S,6R,9R,13S,15R,19S,16E,(+)]-6-[(2-Bromo-1H-indol-3-yl)methyl]-9-(4-hydroxyphenyl)-3,5,13,15,17,19-hexamethyl-2,5,8-triaza-12-oxacyclononadecan-16-ene-1,4,7,11-tetrone
  • ジャスパミド
  • Jaspamide
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CAS registry number： 102396-24-7
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