[11,17-Dimethoxy-3,9,10,12-tetradeuterio-18-[(2,5-dideuterio-3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester isomer]

SpectraBase Compound ID	IQPvcDBrBAh
InChI	InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24+,27-,28+,31+/m1/s1/i7D,8D,11D,12D,14D,24D
InChIKey	QEVHRUUCFGRFIF-WBJTYRMCSA-N Google Search
Mol Weight	614.7 g/mol
Molecular Formula	C33H34D6N2O9
Exact Mass	614.311041 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	22VEEEb6zg
Name	[11,17-Dimethoxy-3,9,10,12-tetradeuterio-18-[(2,5-dideuterio-3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester isomer]
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H34D6N2O9
InChI	InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24+,27-,28+,31+/m1/s1/i7D,8D,11D,12D,14D,24D
InChIKey	QEVHRUUCFGRFIF-WBJTYRMCSA-N
Molecular Weight	614.725 g/mol
SMILES	[nH]1c2c(c3c(c(c(c(c13)[D])OC)[D])[D])CCN1[C@]2(C[C@]2([C@@](C1)(C[C@]([C@@]([C@]2(C(=O)OC)[H])(OC)[H])(OC(c1c(c(c(OC)c(c1[D])OC)OC)[D])=O)[H])[H])[H])[D]
SPLASH	splash10-03xs-0111209000-bbb306688750b11ea870
Source of Spectrum	H1-52-474-4
Synonyms	Hexadeuterioisoreserpine[11,17-Dimethoxy-9,10,12,14-tetradeuterio-18-[(2,5-dideuterio-3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester isomer]
Wiley ID	817513