Chem
J-GLOBAL ID:200907050238450389   Nikkaji number:J761.799B

Nepenthone

ネペントン
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: C28H29NO4
Molecular formula furigana: C28-H29-N-O4
Molecular weight: 443.543
InChI: InChI=1S/C28H29NO4/c1-29-14-13-27-22-18-9-10-20(31-2)24(22)33-25(27)28(32-3)12-11-26(27,21(29)15-18)16-19(28)23(30)17-7-5-4-6-8-17/h4-12,19,21,25H,13-16H2,1-3H3/t19-,21-,25-,26+,27+,28?/m1/s1
InChI key: VPHUGMTYIBMWQC-HMZLMVSASA-N
SMILES: COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C1(OC)C=C[C@]35C[C@@H]1C(=O)c1ccccc1
Systematic name  (3):
  • [(5α,7α)-4,5-エポキシ-3,6-ジメトキシ-17-メチル-6,14-エテノモルフィナン-7-イル]フェニルメタノン
  • (1S,2R,6S,14R,19S)-19-ベンゾイル-11,15-ジメトキシ-3-メチル-13-オキサ-3-アザヘキサシクロ[13.2.2.12,8.01,6.06,14.07,12]イコサ-7(12),8,10,16-テトラエン
  • (1S,2R,6S,14R,19S)-19-benzoyl-11,15-dimethoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7(12),8,10,16-tetraene
Other name (3):
  • ネペントン
  • Nepenthone
  • [(5α,7α)-4,5-Epoxy-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl]phenylmethanone
CAS registry number: 464-66-4
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