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Neothiobinupharidine, 6-hydroxy-, (6.alpha.)-

View entire compound with spectra: 4 MS (GC)

Neothiobinupharidine, 6-hydroxy-, (6.alpha.)-
SpectraBase Compound ID GUTD79vxXS0
InChI InChI=1S/C30H42N2O3S/c1-20-3-5-26(22-9-13-34-15-22)31-18-29(11-7-24(20)31)17-30(36-19-29)12-8-25-21(2)4-6-27(32(25)28(30)33)23-10-14-35-16-23/h9-10,13-16,20-21,24-28,33H,3-8,11-12,17-19H2,1-2H3
InChIKey GAKRXIIHJWAJNM-UHFFFAOYSA-N
Mol Weight 510.7 g/mol
Molecular Formula C30H42N2O3S
Exact Mass 510.291614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bXI2wYMWxK
Name Neothiobinupharidine, 6-hydroxy-, (6.alpha.)-
CAS Registry Number 50478-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42N2O3S
InChI InChI=1S/C30H42N2O3S/c1-20-3-5-26(22-9-13-34-15-22)31-18-29(11-7-24(20)31)17-30(36-19-29)12-8-25-21(2)4-6-27(32(25)28(30)33)23-10-14-35-16-23/h9-10,13-16,20-21,24-28,33H,3-8,11-12,17-19H2,1-2H3
InChIKey GAKRXIIHJWAJNM-UHFFFAOYSA-N
Molecular Weight 510.737 g/mol
SMILES OC1N2C(c3cocc3)CCC(C2CCC11SCC2(C1)CN1C(c3cocc3)CCC(C1CC2)C)C
SPLASH splash10-0036-2490600000-1a80a6b421ee6e3679b6
Source of Spectrum I-52-2710-1
Synonyms 6-Hydroxythiobinupharidine 6-Hydroxythionuphlutine B 6'-Hydroxyneothiobinupharidine Dispiro[2H-quinolizine-3(4H),2'(3'H)-thiophene-4'(5'H),3''(4''H)-[2H]quinolizine], neothiobinupharidine deriv. Dispiro[2H-quinolizine-3(4H),2'(3'H)-thiophene-4'(5'H),3''(4''H)-[2H]quinolizine], neothiobinupharidine deriv.
Wiley ID 1400550