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Tubocuraran-7'-ol, 6,6',12'-trimethoxy-2,2'-dimethyl-, (1'.alpha.)-

View entire compound with spectra: 1 MS (GC)

Tubocuraran-7'-ol, 6,6',12'-trimethoxy-2,2'-dimethyl-, (1'.alpha.)-
SpectraBase Compound ID FbR6TET8QxC
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)40)13-15-39(2)29(35)17-23-8-11-30(41-3)32(18-23)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3
InChIKey MYHQIVSWYXBWOC-UHFFFAOYSA-N
Mol Weight 608.7 g/mol
Molecular Formula C37H40N2O6
Exact Mass 608.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOHEaSU2fMD
Name Tubocuraran-7'-ol, 6,6',12'-trimethoxy-2,2'-dimethyl-, (1'.alpha.)-
Alternate Name(s) 6,6',12'-Trimethoxy-2,2'-dimethyltubocuraran-7'-ol (+)-Hayatinine Hayatinin Hayatinine Hayatinine, (+)- O-Methylchondrodendrine
CAS Registry Number 6879-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40N2O6
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)40)13-15-39(2)29(35)17-23-8-11-30(41-3)32(18-23)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3
InChIKey MYHQIVSWYXBWOC-UHFFFAOYSA-N
Molecular Weight 608.735 g/mol
SMILES Oc1c(cc2CCN(C)C3Cc4ccc(c(c4)Oc4cc5c(cc4OC)CCN(C)C5Cc4ccc(cc4)Oc1c23)OC)OC
SPLASH splash10-03dj-3898001000-9813d440b2dd1119db30
Source of Spectrum AD-0-4810-0
Wiley ID 65361