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Nor-n(b)-chondrocurine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Nor-n(b)-chondrocurine
SpectraBase Compound ID Lsr6hTazsAW
InChI InChI=1S/C35H36N2O6/c1-37-13-11-23-18-32(41-3)34(39)35-33(23)27(37)15-21-6-9-28(38)29(16-21)43-31-19-25-22(17-30(31)40-2)10-12-36-26(25)14-20-4-7-24(42-35)8-5-20/h4-9,16-19,26-27,36,38-39H,10-15H2,1-3H3/t26-,27+/m0/s1
InChIKey GHMRXCQXQKCOHU-RRPNLBNLSA-N
Mol Weight 580.7 g/mol
Molecular Formula C35H36N2O6
Exact Mass 580.257337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5q9hBDMBKiH
Name Nor-n(b)-chondrocurine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H36N2O6
InChI InChI=1S/C35H36N2O6/c1-37-13-11-23-18-32(41-3)34(39)35-33(23)27(37)15-21-6-9-28(38)29(16-21)43-31-19-25-22(17-30(31)40-2)10-12-36-26(25)14-20-4-7-24(42-35)8-5-20/h4-9,16-19,26-27,36,38-39H,10-15H2,1-3H3/t26-,27+/m0/s1
InChIKey GHMRXCQXQKCOHU-RRPNLBNLSA-N
Molecular Weight 580.681 g/mol
SMILES Oc1c(cc2CCN([C@]3(c2c1Oc1ccc(C[C@]2(c4cc(Oc5cc(ccc5O)C3)c(cc4CCN2)OC)[H])cc1)[H])C)OC
SPLASH splash10-000t-0090050000-b438a7ed8878e32da010
Source of Spectrum X2-50-544-230
Wiley ID 1602308