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1H-Naphtho[1,8a-c]furan-8(3H)-one, 7-(1,3-dioxolan-2-yl)-3a,4,5,6,6a,7-hexahydro-7-methyl-10-(phenylthio)-, (3a.alpha.,6.alpha.,7.alpha.,10aR*)-(.+-.)-
SpectraBase Compound ID FoqjqLDp0Y0
InChI InChI=1S/C22H26O4S/c1-21(20-25-10-11-26-20)17-9-5-6-15-13-24-14-22(15,17)19(12-18(21)23)27-16-7-3-2-4-8-16/h2-4,7-8,12,15,17,20H,5-6,9-11,13-14H2,1H3/t15-,17?,21-,22-/m0/s1
InChIKey MZWPCTGNYSXEON-PLSLSZQRSA-N
Mol Weight 386.51 g/mol
Molecular Formula C22H26O4S
Exact Mass 386.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B27tlS871Eb
Name 1H-Naphtho[1,8a-c]furan-8(3H)-one, 7-(1,3-dioxolan-2-yl)-3a,4,5,6,6a,7-hexahydro-7-methyl-10-(phenylthio)-, (3a.alpha.,6.alpha.,7.alpha.,10aR*)-(.+-.)-
Alternate Name(s) (3aR,7R,10aR)-7-(1,3-dioxolan-2-yl)-7-methyl-10-(phenylsulfanyl)-3a,4,5,6,6a,7-hexahydronaphtho[1,8a-c]furan-8(3H)-one 7.beta.-(1,3-dioxolan-2-yl)-3a.beta.,4,5,6,6a.beta.,7-hexahydro-7.alpha.-methyl-10-phenylthio-1H-naphtho[1.8a.alpha.-C]furan-8(3H)-one
CAS Registry Number 125315-29-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O4S
InChI InChI=1S/C22H26O4S/c1-21(20-25-10-11-26-20)17-9-5-6-15-13-24-14-22(15,17)19(12-18(21)23)27-16-7-3-2-4-8-16/h2-4,7-8,12,15,17,20H,5-6,9-11,13-14H2,1H3/t15-,17?,21-,22-/m0/s1
InChIKey MZWPCTGNYSXEON-PLSLSZQRSA-N
Molecular Weight 386.506 g/mol
SMILES [C@@]1(C(C=C([C@@]23C1CCC[C@]3(COC2)[H])Sc1ccccc1)=O)(C1OCCO1)C
SPLASH splash10-024i-6409000000-cbe115fd32bfb8f9ba92
Source of Spectrum F-45-5605-19
Wiley ID 1362683