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Neothiobinupharidin-6-ol, (6.alpha.,13S)-
SpectraBase Compound ID 3F1Od5SgtIg
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/t20?,21?,24?,25?,26?,27?,28-,29?,30?/m1/s1
InChIKey GAKRXIIHJWAJNM-PUGZNVIZSA-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 cp3x6w6LfM
Name Neothiobinupharidin-6-ol, (6.alpha.,13S)-
Alternate Name(s) (4R)-6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizine]-4-ol 6'-Hydroxythionuphlutine Dispiro[2H-quinolizine-3(4H),2'(3'H)-thiophene-4'(5'H),3''(4''H)-[2H]quinolizine], neothiobinupharidin-6-ol deriv. Dispiro[2H-quinolizine-3(4H),2'(3'H)-thiophene-4'(5'H),3''(4''H)-[2H]quinolizine], neothiobinupharidin-6-ol deriv.
CAS Registry Number 52002-90-1
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/t20?,21?,24?,25?,26?,27?,28-,29?,30?/m1/s1
InChIKey GAKRXIIHJWAJNM-PUGZNVIZSA-N
Molecular Weight 510.737 g/mol
SMILES O[C@]1(N2C(c3cocc3)CCC(C2CCC11SCC2(C1)CN1C(c3cocc3)CCC(C1CC2)C)C)[H]
SPLASH splash10-0059-0890000000-a28c2553070aaacefc09
Source of Spectrum O-11-184-1
Wiley ID 1400554