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(1R*,11S*,12R*,14S*,15R*)-1-(Methoxycarbonyl)-12-methyl]-14-(phenylthio)-17-oxatricyclo[9.4.1.1(12,15)]heptadecan-16-one
SpectraBase Compound ID KYYIeLFury5
InChI InChI=1S/C25H34O4S/c1-24-17-20(30-18-13-9-8-10-14-18)22(29-24)25(23(27)28-2)16-12-7-5-3-4-6-11-15-19(24)21(25)26/h8-10,13-14,19-20,22H,3-7,11-12,15-17H2,1-2H3/t19-,20+,22+,24-,25+/m1/s1
InChIKey MBHNEQZGLZYCBN-AUGUEUGYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C25H34O4S
Exact Mass 430.217781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PZrVS46Zku
Name (1R*,11S*,12R*,14S*,15R*)-1-(Methoxycarbonyl)-12-methyl]-14-(phenylthio)-17-oxatricyclo[9.4.1.1(12,15)]heptadecan-16-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O4S
InChI InChI=1S/C25H34O4S/c1-24-17-20(30-18-13-9-8-10-14-18)22(29-24)25(23(27)28-2)16-12-7-5-3-4-6-11-15-19(24)21(25)26/h8-10,13-14,19-20,22H,3-7,11-12,15-17H2,1-2H3/t19-,20+,22+,24-,25+/m1/s1
InChIKey MBHNEQZGLZYCBN-AUGUEUGYSA-N
Molecular Weight 430.603 g/mol
SMILES [C@]12([C@]3(O[C@]([C@@](C2=O)(CCCCCCCCC1)[H])(C)C[C@@]3(Sc1ccccc1)[H])[H])C(=O)OC
SPLASH splash10-001i-0041900000-5b939f6b543996701090
Source of Spectrum J-64-4128-15
Wiley ID 1530259