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6-Hydroxyneothiobinupharidine

View entire compound with spectra: 1 MS (GC)

6-Hydroxyneothiobinupharidine
SpectraBase Compound ID 7k9YF6AxPwW
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-KTVXHCGXSA-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 5A2samj6MAD
Name 6-Hydroxyneothiobinupharidine
Alternate Name(s) (6S,6''S,9R,9''R,9aS,9''aS)-6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizine]-4-ol
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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-KTVXHCGXSA-N
Molecular Weight 510.737 g/mol
SMILES OC1N2[C@](c3cocc3)(CC[C@]([C@@]2(CCC11SCC2(C1)CN1[C@](c3cocc3)(CC[C@]([C@]1([H])CC2)(C)[H])[H])[H])(C)[H])[H]
SPLASH splash10-004i-0920000000-b19c7a95c8318b624557
Source of Spectrum O-11-184-1
Wiley ID 1400555