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2H-Pyran, tetrahydro-2-[[5-(methoxymethoxy)-4-(3a,4,7,7a-tetrahydro-4,7-methano -1H-inden-1-yl)pentyl]oxy]-, [1.alpha.(4S*),3a.alpha.,4.alpha.,7.alpha.,7a.alpha.]-(.+-.)-
SpectraBase Compound ID 1TtHbLbsAV0
InChI InChI=1S/C22H34O4/c1-23-15-24-14-18(5-4-12-26-21-6-2-3-11-25-21)20-10-9-19-16-7-8-17(13-16)22(19)20/h7-10,16-22H,2-6,11-15H2,1H3/t16?,17-,18-,19+,20-,21?,22-/m1/s1
InChIKey QKLRETXSAOEFCB-KVJWPNSSSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2DrPNzA0Oj
Name 2H-Pyran, tetrahydro-2-[[5-(methoxymethoxy)-4-(3a,4,7,7a-tetrahydro-4,7-methano -1H-inden-1-yl)pentyl]oxy]-, [1.alpha.(4S*),3a.alpha.,4.alpha.,7.alpha.,7a.alpha.]-(.+-.)-
CAS Registry Number 88555-68-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-23-15-24-14-18(5-4-12-26-21-6-2-3-11-25-21)20-10-9-19-16-7-8-17(13-16)22(19)20/h7-10,16-22H,2-6,11-15H2,1H3/t16?,17-,18-,19+,20-,21?,22-/m1/s1
InChIKey QKLRETXSAOEFCB-KVJWPNSSSA-N
Molecular Weight 362.510 g/mol
SMILES [C@@]12([C@@]3(C=CC([C@@]2(C=C[C@@]1([C@@](COCOC)(CCCOC1OCCCC1)[H])[H])[H])C3)[H])[H]
SPLASH splash10-0udi-0900000000-779907a021e540cd2ccf
Source of Spectrum F-39-2766-0
Synonyms 1RS,2SR,5SR,6SR,7SR-5'-(2'RS-1'-Methoxymethyloxy-5'-(2'-terahydropyranyloxy)-2'-pentyl)tricyclo[5.2.1.0]deca-3,8-diene 2-({(4S)-5-(methoxymethoxy)-4-[(1S,2R,3S,6S)-tricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-yl]pentyl}oxy)tetrahydro-2H-pyran
Wiley ID 1349845