18,19-Secoyohimban-19-oic acid, 16,17,20,21-tetradehydro-16-(hydroxymethyl)-, methyl ester, (15.beta.,16E)-

SpectraBase Compound ID	CQhJVVdt7Ry
InChI	InChI=1S/C21H24N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11,16,19,22,24H,8-10,12H2,1-2H3/b13-3+
InChIKey	FRUFGLJBMBUARK-QLKAYGNNSA-N Google Search
Mol Weight	352.43 g/mol
Molecular Formula	C21H24N2O3
Exact Mass	352.178693 g/mol

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SpectraBase Spectrum ID	CDfRNfEL0bj
Name	18,19-Secoyohimban-19-oic acid, 16,17,20,21-tetradehydro-16-(hydroxymethyl)-, methyl ester, (15.beta.,16E)-
CAS Registry Number	5523-49-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H24N2O3
InChI	InChI=1S/C21H24N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11,16,19,22,24H,8-10,12H2,1-2H3/b13-3+
InChIKey	FRUFGLJBMBUARK-QLKAYGNNSA-N
Molecular Weight	352.434 g/mol
SMILES	[nH]1c2ccccc2c2c1C1CC(\C(CO)=C/C)C(=CN1CC2)C(OC)=O
SPLASH	splash10-0a4j-9310000000-c22b41f5a11780803ea8
Source of Spectrum	SD-1981-0-0
Synonyms	Methyl 2-[(1Z)-1-(hydroxymethyl)-1-propenyl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate 18,19-Seco-15.beta.-yohimban-19-oic acid, 16,17,20,21-tetradehydro-16-(hydroxymethyl)-, methyl ester, (E)- 2-[(Z)-1-hydroxybut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylic acid methyl ester 2-[(Z)-1-methylolprop-1-enyl]-1,2,6,7,12,12b-hexahydropyrido[2,1-a]$b-carboline-3-carboxylic acid methyl ester Dihydrovallesiachotamine Methyl 2-[(Z)-1-(hydroxymethyl)prop-1-enyl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate Methyl 2-[(Z)-1-hydroxybut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate Methyl 2-[(Z)-1-oxidanylbut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Wiley ID	1343405