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2H-Quinolizine-4-ethanol, octahydro-6-(3-iodo-4-methoxyphenyl)-.alpha.-[2-(3-iodo-4-methoxyphenyl)ethyl]-8-(phenylmethoxy)-, [4.alpha.(S*),6.alpha.,8.alpha.,9a.alpha.]-(.+-.)-
SpectraBase Compound ID BNv7bAux87d
InChI InChI=1S/C34H41I2NO4/c1-39-33-15-12-23(17-30(33)35)11-14-28(38)19-26-9-6-10-27-20-29(41-22-24-7-4-3-5-8-24)21-32(37(26)27)25-13-16-34(40-2)31(36)18-25/h3-5,7-8,12-13,15-18,26-29,32,38H,6,9-11,14,19-22H2,1-2H3/t26-,27-,28?,29-,32+/m1/s1
InChIKey VPOQDHTVFKGBAI-JWUVSUALSA-N
Mol Weight 781.5 g/mol
Molecular Formula C34H41I2NO4
Exact Mass 781.112499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRIxvrvhnBk
Name 2H-Quinolizine-4-ethanol, octahydro-6-(3-iodo-4-methoxyphenyl)-.alpha.-[2-(3-iodo-4-methoxyphenyl)ethyl]-8-(phenylmethoxy)-, [4.alpha.(S*),6.alpha.,8.alpha.,9a.alpha.]-(.+-.)-
CAS Registry Number 97974-82-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H41I2NO4
InChI InChI=1S/C34H41I2NO4/c1-39-33-15-12-23(17-30(33)35)11-14-28(38)19-26-9-6-10-27-20-29(41-22-24-7-4-3-5-8-24)21-32(37(26)27)25-13-16-34(40-2)31(36)18-25/h3-5,7-8,12-13,15-18,26-29,32,38H,6,9-11,14,19-22H2,1-2H3/t26-,27-,28?,29-,32+/m1/s1
InChIKey VPOQDHTVFKGBAI-JWUVSUALSA-N
Molecular Weight 781.514 g/mol
SMILES OC(C[C@@]1(N2[C@](c3cc(I)c(cc3)OC)(C[C@@](C[C@]2(CCC1)[H])(OCc1ccccc1)[H])[H])[H])CCc1cc(I)c(cc1)OC
SPLASH splash10-002f-9002500000-ba8b1bc7f1630655ba31
Source of Spectrum J-52-4672-49
Synonyms 1-[(4R,6S,8R,9aR)-8-(benzyloxy)-6-(3-iodo-4-methoxyphenyl)octahydro-2H-quinolizin-4-yl]-4-(3-iodo-4-methoxyphenyl)-2-butanol [4.alpha.(S*),6.alpha.,8.alpha.,9a.alpha]-(+,-)-octahydro-6-(3-iodo-4-methoxyphenyl)-.alpha.-[2-(3-iodo-4-methoxyphenyl)ethyl]-8-(phenylmethoxy)-2H-quinolizine-4-ethanol
Wiley ID 1416913