Chem
J-GLOBAL ID:200907051084482530
Nikkaji number:J2.775.700F
19-Hydroxytabersonine
19-ヒドロキシタベルソニン
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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:
C21 H24 N2 O3
Molecular formula furigana:
C21-H24-N2-O3
Molecular weight:
352.434
InChI:
InChI=1S/C21H24N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-8,13,19,22,24H,9-12H2,1-2H3/t13?,19-,20-,21-/m0/s1
InChI key:
XDGRXQNYJMQLPU-VFZBCNBRSA-N
SMILES:
COC(=O)C1=C2Nc3ccccc3[C@]32CCN2CC=C[C@](C1)(C(C)O)[C@@H]32
Systematic name (3):
(3aS,10bR)-3aα-(1-ヒドロキシエチル)-3a,4,6,11,12,13aα-ヘキサヒドロ-1H-インドリジノ[8,1-cd]カルバゾール-5-カルボン酸メチル
メチル (1R,12S,19R)-12-(1-ヒドロキシエチル)-8,16-ジアザペンタシクロ[10.6.1.01,9 .02,7 .016,19 ]ノナデカ-2,4,6,9,13-ペンタエン-10-カルボキシラート
methyl (1R,12S,19R)-12-(1-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.01,9 .02,7 .016,19 ]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
Other name (3):
(3aS,10bR)-3aα-(1-Hydroxyethyl)-3a,4,6,11,12,13aα-hexahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylic acid methyl ester
19-Hydroxytabersonine
19-ヒドロキシタベルソニン
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