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5H,19H-Dibenzo[o,r][1,4,7,10,13,17]pentaoxathiacycloeicosin, 7,8,10,11,13,14,16,17-octahydro-, 24-oxide
SpectraBase Compound ID KdR3qlv708x
InChI InChI=1S/C22H28O6S/c23-29-21-7-3-1-5-19(21)17-27-15-13-25-11-9-24-10-12-26-14-16-28-18-20-6-2-4-8-22(20)29/h1-8H,9-18H2
InChIKey SHRAVQUUPMQUGZ-UHFFFAOYSA-N
Mol Weight 420.52 g/mol
Molecular Formula C22H28O6S
Exact Mass 420.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 407H3eY0yxV
Name 5H,19H-Dibenzo[o,r][1,4,7,10,13,17]pentaoxathiacycloeicosin, 7,8,10,11,13,14,16,17-octahydro-, 24-oxide
CAS Registry Number 122476-16-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6S
InChI InChI=1S/C22H28O6S/c23-29-21-7-3-1-5-19(21)17-27-15-13-25-11-9-24-10-12-26-14-16-28-18-20-6-2-4-8-22(20)29/h1-8H,9-18H2
InChIKey SHRAVQUUPMQUGZ-UHFFFAOYSA-N
Molecular Weight 420.520 g/mol
SMILES c12S(c3c(COCCOCCOCCOCCOCc2cccc1)cccc3)=O
SPLASH splash10-002b-0940300000-6bd9fb2c6161269b8d30
Source of Spectrum B-41-1951-5
Synonyms 7,8,10,11,13,14,16,17-Octahydro-5H,19H-dibenzo[o,r][1,4,7,10,13,17]pentaoxathiacycloeicosin-S-oxide 7,8,10,11,13,14,16,17-octahydro-5H,19H-dibenzo[o,r][1,4,7,10,13,17]pentaoxathiacycloicosin 24-oxide
Wiley ID 1377902