Chem
J-GLOBAL ID:200907076903691561   Nikkaji number:J2.766.060F

3-Acetylnerbowdine

3-アセチルネルボウジン
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: C19H23NO6
Molecular formula furigana: C19-H23-N-O6
Molecular weight: 361.394
InChI: InChI=1S/C19H23NO6/c1-10(21)26-11-5-15-19(16(22)6-11)3-4-20(15)8-12-13(19)7-14-18(17(12)23-2)25-9-24-14/h7,11,15-16,22H,3-6,8-9H2,1-2H3/t11-,15-,16-,19+/m1/s1
InChI key: BSVABPABKQCTBP-GZJVQYRHSA-N
SMILES: COc1c2OCOc2cc2c1CN1CC[C@]32[C@H]1C[C@H](C[C@H]3O)OC(=O)C
Systematic name  (3):
  • 7-メトキシクリナン-1α,3α-ジオール3-アセタート
  • (1S,13R,15R,17R)-17-ヒドロキシ-9-メトキシ-5,7-ジオキサ-12-アザペンタシクロ[10.5.2.01,13.02,10.04,8]ノナデカ-2(10),3,8-トリエン-15-イル アセタート
  • (1S,13R,15R,17R)-17-hydroxy-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2(10),3,8-trien-15-yl acetate
Other name (3):
  • 7-Methoxycrinan-1α,3α-diol 3-acetate
  • 3-Acetylnerbowdine
  • 3-アセチルネルボウジン
CAS registry number: 100196-22-3
KEGG COMPOUND: C08514
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