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Tubocuraran, 6,6',7',12'-tetramethoxy-2,2'-dimethyl-
SpectraBase Compound ID ICsqPovbxWv
InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(43-5)37(38)44-6)14-16-40(2)30(36)18-24-9-12-31(41-3)33(19-24)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3
InChIKey BWFWPNFEEDTSFC-UHFFFAOYSA-N
Mol Weight 622.8 g/mol
Molecular Formula C38H42N2O6
Exact Mass 622.304287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mWi0ZQrzBW
Name Tubocuraran, 6,6',7',12'-tetramethoxy-2,2'-dimethyl-
Alternate Name(s) 6,6',7',12'-Tetramethoxy-2,2'-dimethyltubocuraran (+)-O,O-Dimethyltubocurine Chondrocurine, O,O-dimethyl- Tubocurarine, 2,2'-didemethyl-O,O'-dimethyl-
CAS Registry Number 2233-44-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H42N2O6
InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(43-5)37(38)44-6)14-16-40(2)30(36)18-24-9-12-31(41-3)33(19-24)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3
InChIKey BWFWPNFEEDTSFC-UHFFFAOYSA-N
Molecular Weight 622.762 g/mol
SMILES CN1CCc2cc(c3cc2C1Cc1ccc(cc1)Oc1c2c(cc(c1OC)OC)CCN(C)C2Cc1ccc(c(c1)O3)OC)OC
SPLASH splash10-03dj-1968013000-ea31cebb1e48f60abfa7
Source of Spectrum AD-0-4811-0
Wiley ID 1411681