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2H-Quinolizine-4-acetic acid, octahydro-6-(3-iodo-4-methoxyphenyl)-8-(phenylmethoxy)-, ethyl ester, (4.alpha.,6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-

View entire compound with spectra: 2 MS (GC)

2H-Quinolizine-4-acetic acid, octahydro-6-(3-iodo-4-methoxyphenyl)-8-(phenylmethoxy)-, ethyl ester, (4.alpha.,6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID LVUystip2My
InChI InChI=1S/C27H34INO4/c1-3-32-27(30)16-22-11-7-10-21-15-23(33-18-19-8-5-4-6-9-19)17-25(29(21)22)20-12-13-26(31-2)24(28)14-20/h4-6,8-9,12-14,21-23,25H,3,7,10-11,15-18H2,1-2H3/t21-,22-,23-,25+/m1/s1
InChIKey QGUJYKFZDQVPNA-WBJOIXBTSA-N
Mol Weight 563.5 g/mol
Molecular Formula C27H34INO4
Exact Mass 563.153254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuJJvkUye4b
Name 2H-Quinolizine-4-acetic acid, octahydro-6-(3-iodo-4-methoxyphenyl)-8-(phenylmethoxy)-, ethyl ester, (4.alpha.,6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
CAS Registry Number 97974-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34INO4
InChI InChI=1S/C27H34INO4/c1-3-32-27(30)16-22-11-7-10-21-15-23(33-18-19-8-5-4-6-9-19)17-25(29(21)22)20-12-13-26(31-2)24(28)14-20/h4-6,8-9,12-14,21-23,25H,3,7,10-11,15-18H2,1-2H3/t21-,22-,23-,25+/m1/s1
InChIKey QGUJYKFZDQVPNA-WBJOIXBTSA-N
Molecular Weight 563.476 g/mol
SMILES [C@]1(N2[C@@](C[C@](C1)(OCc1ccccc1)[H])(CCC[C@@]2(CC(=O)OCC)[H])[H])(c1cc(I)c(cc1)OC)[H]
SPLASH splash10-002f-7002900000-91d2b9429ee4e0675cb6
Source of Spectrum J-52-4671-43
Synonyms (4.alpha.,6.alpha.,8.alpha.,9a.alpha.)-(+,-)-ethyl .alpha.-[octahydro-6-(3-iodo-4-methoxyphenyl)-8-(phenylmethoxy)-4H-quinolizin-4-yl]acetate Ethyl[(4R,6S,8R,9aR)-8-(benzyloxy)-6-(3-iodo-4-methoxyphenyl)octahydro-2H-quinolizin-4-yl]acetate
Wiley ID 1407026