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10-hydroxy-1-phenylsulfonyl-1,12-(methanoxycarbonyl)cyclotridec-11-ene-1-carboxylic methyl ester
SpectraBase Compound ID 6S0nAU6mXsZ
InChI InChI=1S/C21H28O5S/c22-18-10-6-3-1-2-4-9-13-21(15-17(14-18)16-26-20(21)23)27(24,25)19-11-7-5-8-12-19/h5,7-8,11-12,14,18,22H,1-4,6,9-10,13,15-16H2/b17-14-/t18?,21-/m0/s1
InChIKey PUDRSXNZDLZBQT-JYNSNJDWSA-N
Mol Weight 392.51 g/mol
Molecular Formula C21H28O5S
Exact Mass 392.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dm6zc27MSU2
Name 10-hydroxy-1-phenylsulfonyl-1,12-(methanoxycarbonyl)cyclotridec-11-ene-1-carboxylic methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5S
InChI InChI=1S/C21H28O5S/c22-18-10-6-3-1-2-4-9-13-21(15-17(14-18)16-26-20(21)23)27(24,25)19-11-7-5-8-12-19/h5,7-8,11-12,14,18,22H,1-4,6,9-10,13,15-16H2/b17-14-/t18?,21-/m0/s1
InChIKey PUDRSXNZDLZBQT-JYNSNJDWSA-N
Molecular Weight 392.510 g/mol
SMILES OC1\C=C\2C[C@](S(=O)(=O)c3ccccc3)(C(OC2)=O)CCCCCCCC1
SPLASH splash10-0f89-9460000000-249b32edb05e49e6ad5e
Source of Spectrum C-120-2823-10
Synonyms 2-Oxa-3-oxo-4-(phenylsulfonyl)-13-hydroxybicyclo[10.3.1(4,15)]hexadec-14-ene
Wiley ID 1699671