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5-Hydroxy-thalmine

View entire compound with spectra: 1 MS (GC)

5-Hydroxy-thalmine
SpectraBase Compound ID Kiqn3bZKiCN
InChI InChI=1S/C37H40N2O7/c1-38-14-12-24-26-20-33(37(44-5)34(24)40)46-36-25-13-15-39(2)28(27(25)19-32(43-4)35(36)41)16-21-6-9-23(10-7-21)45-31-18-22(17-29(26)38)8-11-30(31)42-3/h6-11,18-20,28-29,40-41H,12-17H2,1-5H3/t28-,29-/m0/s1
InChIKey AJJJRLMIDHHVRN-VMPREFPWSA-N
Mol Weight 624.7 g/mol
Molecular Formula C37H40N2O7
Exact Mass 624.283552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFKUnpyKMsO
Name 5-Hydroxy-thalmine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40N2O7
InChI InChI=1S/C37H40N2O7/c1-38-14-12-24-26-20-33(37(44-5)34(24)40)46-36-25-13-15-39(2)28(27(25)19-32(43-4)35(36)41)16-21-6-9-23(10-7-21)45-31-18-22(17-29(26)38)8-11-30(31)42-3/h6-11,18-20,28-29,40-41H,12-17H2,1-5H3/t28-,29-/m0/s1
InChIKey AJJJRLMIDHHVRN-VMPREFPWSA-N
Molecular Weight 624.734 g/mol
SMILES Oc1c(c2Oc3c(c(cc4[C@](Cc5ccc(Oc6cc(C[C@]7(c(c1CCN7C)c2)[H])ccc6OC)cc5)(N(CCc34)C)[H])OC)O)OC
SPLASH splash10-006t-0907007000-eb5deb0ca1a23e58b346
Source of Spectrum X2-49-492-4
Wiley ID 1601910