Chem
J-GLOBAL ID:200907076903691561
Nikkaji number:J2.766.060F
3-Acetylnerbowdine
3-アセチルネルボウジン
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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:
C19 H23 NO6
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
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