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[(1aR,3aR,4R,5S,6R,7aR,7bS)-4,5,7a,7b-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-6-yl] acetate

View entire compound with spectra: 1 MS (GC)

[(1aR,3aR,4R,5S,6R,7aR,7bS)-4,5,7a,7b-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-6-yl] acetate
SpectraBase Compound ID KBUsI7I0f7U
InChI InChI=1S/C22H32O5/c1-13-16(26-14(2)23)11-21(4)17(6-7-18-22(21,5)27-18)20(13,3)9-8-15-10-19(24)25-12-15/h10,13,16-18H,6-9,11-12H2,1-5H3/t13-,16-,17-,18-,20+,21-,22-/m1/s1
InChIKey VIJXODFXMMPARA-GKAAXWIXSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kcM9aKZ60
Name [(1aR,3aR,4R,5S,6R,7aR,7bS)-4,5,7a,7b-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-6-yl] acetate
Appearance Colorless block crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-13-16(26-14(2)23)11-21(4)17(6-7-18-22(21,5)27-18)20(13,3)9-8-15-10-19(24)25-12-15/h10,13,16-18H,6-9,11-12H2,1-5H3/t13-,16-,17-,18-,20+,21-,22-/m1/s1
InChIKey VIJXODFXMMPARA-GKAAXWIXSA-N
Ionization Type EI
Molecular Weight 376.493 g/mol
Optical Rotation [a]D16.2 = -44.4 (c = 0.12, MeOH)
Reported Formula C22H32O5
SMILES C1C[C@]2([C@@](C[C@]([C@]([C@@]2(CCC=2COC(C2)=O)C)(C)[H])(OC(C)=O)[H])([C@]2([C@@]1(O2)[H])C)C)[H]
SPLASH splash10-0019-9001000000-c94b3243ffbb3f9c4121
Source of Spectrum CN103923076B
Wiley ID 1850757