Chem
J-GLOBAL ID:200907027371773350
Nikkaji number:J495.925F
(+)-Subcosine I
(+)-スブコシンI
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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:
C28 H35 NO6
Molecular formula furigana:
C28-H35-N-O6
Molecular weight:
481.589
InChI:
InChI=1S/C28H35NO6/c1-31-24-11-8-19(15-26(24)33-3)9-13-28(30)35-22-17-21-7-5-6-14-29(21)23(18-22)20-10-12-25(32-2)27(16-20)34-4/h8-13,15-16,21-23H,5-7,14,17-18H2,1-4H3/b13-9+/t21-,22+,23+/m1/s1
InChI key:
SBKIUFGQHKGQAE-KUCVFJSYSA-N
SMILES:
COc1ccc(/C=C/C(=O)O[C@H]2C[C@H]3CCCCN3[C@@H](C2)c2ccc(OC)c(OC)c2)cc1OC
Systematic name (3):
[E,(+)]-3-(3,4-ジメトキシフェニル)プロペン酸[[(9aβ)-オクタヒドロ-4β-(3,4-ジメトキシフェニル)-2H-キノリジン]-2α-イル]
(2S,4S,9aR)-4-(3,4-ジメトキシフェニル)-オクタヒドロ-1H-キノリジン-2-イル (2E)-3-(3,4-ジメトキシフェニル)プロパ-2-エノアート
(2S,4S,9aR)-4-(3,4-dimethoxyphenyl)-octahydro-1H-quinolizin-2-yl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Other name (3):
(+)-スブコシンI
(+)-Subcosine I
[E,(+)]-3-(3,4-Dimethoxyphenyl)propenoic acid [[(9aβ)-octahydro-4β-(3,4-dimethoxyphenyl)-2H-quinolizine]-2α-yl] ester
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