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(4R)-5,8-Dihydroxy-14-methyl-4-(phenylthio)oxacyclotetradeca-6,9-dien-2-one
SpectraBase Compound ID Ic8roxkJE1q
InChI InChI=1S/C20H26O4S/c1-15-8-4-2-5-9-16(21)12-13-18(22)19(14-20(23)24-15)25-17-10-6-3-7-11-17/h3,5-7,9-13,15-16,18-19,21-22H,2,4,8,14H2,1H3/b9-5-,13-12-/t15?,16?,18?,19-/m1/s1
InChIKey YCWWLHTWIOOFOO-JPSRUDFHSA-N
Mol Weight 362.48 g/mol
Molecular Formula C20H26O4S
Exact Mass 362.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ypv3ev34T5
Name (4R)-5,8-Dihydroxy-14-methyl-4-(phenylthio)oxacyclotetradeca-6,9-dien-2-one
Alternate Name(s) (4R)-5,8-dihydroxy-14-methyl-4-(phenylsulfanyl)oxacyclotetradeca-6,9-dien-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4S
InChI InChI=1S/C20H26O4S/c1-15-8-4-2-5-9-16(21)12-13-18(22)19(14-20(23)24-15)25-17-10-6-3-7-11-17/h3,5-7,9-13,15-16,18-19,21-22H,2,4,8,14H2,1H3/b9-5-,13-12-/t15?,16?,18?,19-/m1/s1
InChIKey YCWWLHTWIOOFOO-JPSRUDFHSA-N
Molecular Weight 362.484 g/mol
SMILES OC1\C=C/C([C@@](CC(OC(CCC\C=C/1)C)=O)(Sc1ccccc1)[H])O
SPLASH splash10-001i-2901000000-8b0b8bc4e31214e47fa5
Source of Spectrum K1-2000-1455-3
Wiley ID 750196