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Chondodendrine
SpectraBase Compound ID 4LE53onOpqI
InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1
InChIKey NGZXDRGWBULKFA-NSOVKSMOSA-N
Mol Weight 594.7 g/mol
Molecular Formula C36H38N2O6
Exact Mass 594.272987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoFLfX48wF6
Name Chondodendrine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38N2O6
InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1
InChIKey NGZXDRGWBULKFA-NSOVKSMOSA-N
Molecular Weight 594.708 g/mol
SMILES Oc1c(cc2CCN([C@@]3(c2c1Oc1ccc(C[C@]2(c4cc(Oc5cc(ccc5O)C3)c(cc4CCN2C)OC)[H])cc1)[H])C)OC
SPLASH splash10-0002-0690020000-9299ba56be950873b1bb
Source of Spectrum W-0-817-24
Synonyms (1'alpha)-6,6'-dimethoxy-2,2'-dimethyltubocuraran-7',12'-diol Chondrodendrine
Wiley ID 754255