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7.beta-Etorphine
SpectraBase Compound ID BqUVVtdWIJQ
InChI InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21+,22?,23-,24+,25+/m0/s1
InChIKey CAHCBJPUTCKATP-AOZPXFPDSA-N
Mol Weight 411.5 g/mol
Molecular Formula C25H33NO4
Exact Mass 411.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeMPnh3WxYa
Name 7.beta-Etorphine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33NO4
InChI InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21+,22?,23-,24+,25+/m0/s1
InChIKey CAHCBJPUTCKATP-AOZPXFPDSA-N
Molecular Weight 411.542 g/mol
SMILES Oc1c2c3c(C[C@]4([C@]56[C@]3([C@]([C@]([C@](C(O)(CCC)C)(C6)[H])(C=C5)OC)(O2)[H])CCN4C)[H])cc1
SPLASH splash10-03dl-9242700000-6116d55cc95850aeb79e
Source of Spectrum F-54-9151-19
Synonyms (14R,15R,19S)-19-[(1S)-1-hydroxy-1-methylbutyl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.1(2,8).0(1,6).0(2,14).0(12,20)]icosa-8(20),9,11,16-tetraen-11-ol 7..beta.-Etorphine
Wiley ID 808101