Chem
J-GLOBAL ID:200907015367563203
Nikkaji number:J40.011D
Cabucine
カブシン
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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:
C22 H26 N2 O4
Molecular formula furigana:
C22-H26-N2-O4
Molecular weight:
382.460
InChI:
InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-14-16-8-13(26-2)4-5-19(16)23-21(14)20(24)9-15(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,15,17,20,23H,6-7,9-10H2,1-3H3/t12-,15-,17+,20-/m0/s1
InChI key:
DTDADHMBRZKXSC-IEGSVRCHSA-N
SMILES:
COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@H]3C[C@H]12
Systematic name (3):
16,17-ジデヒドロ-10-メトキシ-19α-メチル-18-オキサヨヒンバン-16-カルボン酸メチル
メチル (1S,15R,16S,20S)-7-メトキシ-16-メチル-17-オキサ-3,13-ジアザペンタシクロ[11.8.0.02,10 .04,9 .015,20 ]ヘンイコサ-2(10),4,6,8,18-ペンタエン-19-カルボキシラート
methyl (1S,15R,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10 .04,9 .015,20 ]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Other name (3):
カブシン
Cabucine
16,17-Didehydro-10-methoxy-19α-methyl-18-oxayohimban-16-carboxylic acid methyl ester
CAS registry number:
16812-97-8
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