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(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyl-5-(2,4,6-trimethylbenzyl)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran

View entire compound with spectra: 1 MS (GC)

(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyl-5-(2,4,6-trimethylbenzyl)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran
SpectraBase Compound ID EiZS10SlC1h
InChI InChI=1S/C21H30O5/c1-11-8-12(2)14(13(3)9-11)10-15-16-17(24-20(4,5)23-16)18-19(22-15)26-21(6,7)25-18/h8-9,15-19H,10H2,1-7H3/t15-,16+,17+,18-,19-/m1/s1
InChIKey VPFAEJQZPWSCSQ-ICBNADEASA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hUrK2tT3jT
Name (3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyl-5-(2,4,6-trimethylbenzyl)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-11-8-12(2)14(13(3)9-11)10-15-16-17(24-20(4,5)23-16)18-19(22-15)26-21(6,7)25-18/h8-9,15-19H,10H2,1-7H3/t15-,16+,17+,18-,19-/m1/s1
InChIKey VPFAEJQZPWSCSQ-ICBNADEASA-N
Literature Reference DOI 10.1002/adsc.201301089
Molecular Weight 362.466 g/mol
SMILES CC1(C)O[C@]2([C@](O1)([H])O[C@@]([C@@]1(OC(O[C@]21[H])(C)C)[H])(Cc1c(cc(cc1C)C)C)[H])[H]
SPLASH splash10-00di-9703000000-c47a1b67f7f8b92562cd
Source of Spectrum ASC-356-1281/SM11-38
Synonyms (3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyl-5-(2,4,6-trimethylbenzyl)tetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran
Wiley ID 1762304