Chem
J-GLOBAL ID：200907096286975353   Nikkaji number：J5.906D

Neopine

ネオピン
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： C18H21NO3
Molecular formula furigana： C18-H21-N-O3
Molecular weight： 299.370
InChI： InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3/t12-,13+,17+,18+/m1/s1
InChI key： NNDKZTBFZTWKLA-QISBLDNZSA-N
SMILES： COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC=C35
Systematic name  (3)：
  • 8,14-ジデヒドロ-4,5α-エポキシ-3-メトキシ-17-メチルモルフィナン-6α-オール
  • (1S,5R,13R,14S)-10-メトキシ-4-メチル-12-オキサ-4-アザペンタシクロ[9.6.1.01,13.05,17.07,18]オクタデカ-7,9,11(18),16-テトラエン-14-オール
  • (1S,5R,13R,14S)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18),16-tetraen-14-ol
Other name (3)：
  • ネオピン
  • Neopine
  • 8,14-Didehydro-4,5α-epoxy-3-methoxy-17-methylmorphinan-6α-ol
CAS registry number： 467-14-1
Regulation number (1)：
  • EINECS2073877
KEGG COMPOUND： C09594
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