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9H-Naphtho[2,1-d][1,3]dioxin-9-one, 1,4a,5,6,6a,10,10a,10b-octahydro-3,3,6a-trimethyl-, [4aS-(4a.alpha.,6a.alpha.,10a.beta.,10b.alpha.)]-

View entire compound with spectra: 1 MS (GC)

9H-Naphtho[2,1-d][1,3]dioxin-9-one, 1,4a,5,6,6a,10,10a,10b-octahydro-3,3,6a-trimethyl-, [4aS-(4a.alpha.,6a.alpha.,10a.beta.,10b.alpha.)]-
SpectraBase Compound ID 9X2wqoHz0ps
InChI InChI=1S/C15H22O3/c1-14(2)17-9-11-12-8-10(16)4-6-15(12,3)7-5-13(11)18-14/h4,6,11-13H,5,7-9H2,1-3H3/t11-,12-,13+,15-/m1/s1
InChIKey ZUPPAFYJISQSJD-GUIRCDHDSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99d0CMeV10s
Name 9H-Naphtho[2,1-d][1,3]dioxin-9-one, 1,4a,5,6,6a,10,10a,10b-octahydro-3,3,6a-trimethyl-, [4aS-(4a.alpha.,6a.alpha.,10a.beta.,10b.alpha.)]-
CAS Registry Number 117439-25-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-14(2)17-9-11-12-8-10(16)4-6-15(12,3)7-5-13(11)18-14/h4,6,11-13H,5,7-9H2,1-3H3/t11-,12-,13+,15-/m1/s1
InChIKey ZUPPAFYJISQSJD-GUIRCDHDSA-N
Molecular Weight 250.338 g/mol
SMILES [C@@]12([C@@]3([C@@](C=CC(C3)=O)(C)CC[C@@]2(OC(OC1)(C)C)[H])[H])[H]
SPLASH splash10-0f79-0290000000-fdb33448a89a5721aa2a
Source of Spectrum C-110-8486-12
Synonyms (4aS,6aS,10aR,10bS)-3,3,6a-trimethyl-1,4a,5,6,6a,10,10a,10b-octahydro-9H-naphtho[2,1-d][1,3]dioxin-9-one (4aS,7S,8S,8aR)-(+)-4a,5,6,7,8,8a-hexahydro-7-hydroxy-8-(hydroxymethyl)-4a-methyl-2(1H)-naphthalenone acetonide
Wiley ID 1253626