Chem
J-GLOBAL ID:200907003070610905
Nikkaji number:J12.963A
Pubescin
プベシン
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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/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1
InChI key:
KXEMQEGRZWUKJS-RURTYGRKSA-N
SMILES:
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12
Systematic name (3):
(20α)-16,17-ジデヒドロ-11-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,15S,16S,20S)-6-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,15S,16S,20S)-6-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 (7):
プベシン
ラウバシニン
レセルピニン【C22 アルカロイド】
Pubescin
Raubasinine
Reserpinine【C22 alkaloid】
(20α)-16,17-Didehydro-11-methoxy-19α-methyl-18-oxayohimban-16-carboxylic acid methyl ester
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CAS registry number:
482-96-2
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