Chem
J-GLOBAL ID:200907018483278760   Nikkaji number:J2.407.461G

(2S,14R,15R,16S)-7aβ,12aβ-(Ethylenebisoxy)-10-methoxy-14-(3,4,5-trimethoxybenzoyloxy)-15-hydroxy-2α,3α-butano-1,2,3,4,6,7,7a,12,12a,12bα-decahydroindolo[2,3-a]quinolizine-16-carboxylic acid methyl ester

(2S,14R,15R,16S)-7aβ,12aβ-(エチレンビスオキシ)-10-メトキシ-14-(3,4,5-トリメトキシベンゾイルオキシ)-15-ヒドロキシ-2α,3α-ブタノ-1,2,3,4,6,7,7a,12,12a,12bα-デカヒドロインドロ[2,3-a]キノリジン-16-カルボン酸メチル
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: C34H42N2O11
Molecular formula furigana: C34-H42-N2-O11
Molecular weight: 654.713
InChI: InChI=1S/C34H42N2O11/c1-40-20-6-7-22-23(15-20)35-34-27-16-21-19(17-36(27)9-8-33(22,34)45-10-11-46-34)14-24(29(37)28(21)32(39)44-5)47-31(38)18-12-25(41-2)30(43-4)26(13-18)42-3/h6-7,12-13,15,19,21,24,27-29,35,37H,8-11,14,16-17H2,1-5H3/t19-,21+,24-,27-,28+,29+,33+,34+/m1/s1
InChI key: LUJLWWPVLPTRPT-RZQGEALJSA-N
SMILES: COC(=O)[C@@H]1[C@@H](O)[C@@H](C[C@@H]2CN3CC[C@@]45OCCO[C@@]4(Nc4cc(OC)ccc54)[C@H]3C[C@H]12)OC(=O)c1cc(OC)c(OC)c(OC)c1
Systematic name  (3):
  • (2S,14R,15R,16S)-7aβ,12aβ-(エチレンビスオキシ)-10-メトキシ-14-(3,4,5-トリメトキシベンゾイルオキシ)-15-ヒドロキシ-2α,3α-ブタノ-1,2,3,4,6,7,7a,12,12a,12bα-デカヒドロインドロ[2,3-a]キノリジン-16-カルボン酸メチル
  • メチル (1S,2R,4S,5S,6R,7R,9S,14S)-6-ヒドロキシ-18-メトキシ-7-(3,4,5-トリメトキシベンゾイルオキシ)-22,25-ジオキサ-11,21-ジアザヘキサシクロ[12.7.4.01,14.02,11.04,9.015,20]ペンタコサ-15,17,19-トリエン-5-カルボキシラート
  • methyl (1S,2R,4S,5S,6R,7R,9S,14S)-6-hydroxy-18-methoxy-7-(3,4,5-trimethoxybenzoyloxy)-22,25-dioxa-11,21-diazahexacyclo[12.7.4.01,14.02,11.04,9.015,20]pentacosa-15,17,19-triene-5-carboxylate
Other name (1):
  • (2S,14R,15R,16S)-7aβ,12aβ-(Ethylenebisoxy)-10-methoxy-14-(3,4,5-trimethoxybenzoyloxy)-15-hydroxy-2α,3α-butano-1,2,3,4,6,7,7a,12,12a,12bα-decahydroindolo[2,3-a]quinolizine-16-carboxylic acid methyl ester
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