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6,6'-Dihydroxythiobinupharidine

View entire compound with spectra: 1 MS (GC)

6,6'-Dihydroxythiobinupharidine
SpectraBase Compound ID Hd7uTLZgPDY
InChI InChI=1S/C30H42N2O4S/c1-19-3-5-25(21-9-13-35-15-21)31-23(19)7-11-29(27(31)33)17-30(37-18-29)12-8-24-20(2)4-6-26(32(24)28(30)34)22-10-14-36-16-22/h9-10,13-16,19-20,23-28,33-34H,3-8,11-12,17-18H2,1-2H3
InChIKey DYEOLAMWQVWASS-UHFFFAOYSA-N
Mol Weight 526.7 g/mol
Molecular Formula C30H42N2O4S
Exact Mass 526.286529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34ztppYLp0l
Name 6,6'-Dihydroxythiobinupharidine
CAS Registry Number 30343-70-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42N2O4S
InChI InChI=1S/C30H42N2O4S/c1-19-3-5-25(21-9-13-35-15-21)31-23(19)7-11-29(27(31)33)17-30(37-18-29)12-8-24-20(2)4-6-26(32(24)28(30)34)22-10-14-36-16-22/h9-10,13-16,19-20,23-28,33-34H,3-8,11-12,17-18H2,1-2H3
InChIKey DYEOLAMWQVWASS-UHFFFAOYSA-N
Molecular Weight 526.736 g/mol
SMILES OC1C2(CC3(C(N4C(CC3)C(CCC4c3cocc3)C)O)CS2)CCC2C(CCC(N12)c1cocc1)C
SPLASH splash10-001i-0090100000-57023ca6edc874442643
Source of Spectrum I-52-2712-4
Wiley ID 1402841