Chem
J-GLOBAL ID：200907001961566270   Nikkaji number：J492.836I

Anhweidelphinine

アンウィーデルフィニジン
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： C35H44N2O10
Molecular formula furigana： C35-H44-N2-O10
Molecular weight： 652.741
InChI： InChI=1S/C35H44N2O10/c1-17-12-24(38)37(29(17)39)21-9-7-6-8-18(21)30(40)47-16-32-11-10-23(44-3)34-20-13-19-22(43-2)14-33(41,25(20)26(19)45-4)35(42,31(34)36-15-32)28(46-5)27(32)34/h6-9,15,17,19-20,22-23,25-28,31,41-42H,10-14,16H2,1-5H3/t17-,19+,20+,22-,23-,25+,26-,27+,28-,31-,32-,33+,34-,35+/m0/s1
InChI key： ZXTOPWJFZABXSX-JVBPJWSTSA-N
SMILES： CO[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@H]2[C@@]43[C@@H]1N=C[C@]2(COC(=O)c1ccccc1N1C(=O)C[C@H](C)C1=O)CC[C@@H]4OC
Systematic name  (4)：
  • 19,20-ジデヒドロ-1α,6β,14α,16β-テトラメトキシ-4-[[[2-(3β-メチル-2,5-ジオキソ-1-ピロリジニル)ベンゾイル]オキシ]メチル]アコニタン-7,8-ジオール
  • 19,20-ジデヒドロ-1α,6β,14α,16β-テトラメトキシ-4-[[2-[(3S)-3-メチル-2,5-ジオキソピロリジノ]ベンゾイル]オキシメチル]アコニタン-7,8-ジオール
  • [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-8,9-ジヒドロキシ-4,6,16,18-テトラメトキシ-11-アザヘキサシクロ[7.7.2.12,5.01,10.03,8.013,17]ノナデカ-11-エン-13-イル]メチル 2-[(3S)-3-メチル-2,5-ジオキソピロリジン-1-イル]ベンゾアート
  • [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-en-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
Other name (6)：
  • アンフウェイデルフィニン
  • Anhweidelphinine
  • 19,20-Didehydro-1α,6β,14α,16β-tetramethoxy-4-[[[2-(3β-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]aconitane-7,8-diol
  • 19,20-Didehydro-1α,6β,14α,16β-tetramethoxy-4-[[2-[(3S)-3-methyl-2,5-dioxopyrrolizino]benzoyl]oxymethyl]aconitane-7,8-diol
  • Anhwiedelphinine
Show all
CAS registry number： 102503-60-6
KEGG COMPOUND： C08657
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