Chem
J-GLOBAL ID：200907002169088325   Nikkaji number：J336.882C

Thevinone

テビノン
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： C23H27NO4
Molecular formula furigana： C23-H27-N-O4
Molecular weight： 381.472
InChI： InChI=1S/C23H27NO4/c1-13(25)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(26-3)19(28-20)18(14)22/h5-8,15,17,20H,9-12H2,1-4H3/t15-,17-,20-,21-,22+,23-/m1/s1
InChI key： DGSADVAMZWFCMP-LLGZQOTFSA-N
SMILES： COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1C(=O)C
Systematic name  (4)：
  • (5R,6R,14R)-7α-アセチル-4,5-エポキシ-3,6β-ジメトキシ-17-メチル-6,14-エテノモルフィナン
  • 3,6-ジメトキシ-4,5α-エポキシ-7α-アセチル-17-メチル-6α,14α-エテノモルフィナン
  • 1-[(1R,2R,6S,14R,15R,16S)-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),8,10,18-テトラエン-16-イル]エタン-1-オン
  • 1-[(1R,2R,6S,14R,15R,16S)-11,15-dimethoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7(12),8,10,18-tetraen-16-yl]ethan-1-one
Other name (4)：
  • Thevinone
  • テビノン
  • (5R,6R,14R)-7α-Acetyl-4,5-epoxy-3,6β-dimethoxy-17-methyl-6,14-ethenomorphinan
  • 3,6-Dimethoxy-4,5α-epoxy-7α-acetyl-17-methyl-6α,14α-ethenomorphinan
CAS registry number： 15358-22-2
Regulation number (1)：
  • EINECS2393930
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