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Acetic acid (2aR,3S,5R,5aR,10aR,10bR)-10b-hydroxy-2,2,5,8,8,10a-hexamethyl-decahydro-7,9-dioxa-cycloocta[cd]inden-3-yl ester

View entire compound with spectra: 1 MS (GC)

Acetic acid (2aR,3S,5R,5aR,10aR,10bR)-10b-hydroxy-2,2,5,8,8,10a-hexamethyl-decahydro-7,9-dioxa-cycloocta[cd]inden-3-yl ester
SpectraBase Compound ID 44swZvxbXF4
InChI InChI=1S/C20H34O5/c1-12-8-15(25-13(2)21)16-17(3,4)10-19(7)11-24-18(5,6)23-9-14(12)20(16,19)22/h12,14-16,22H,8-11H2,1-7H3/t12-,14+,15+,16+,19-,20-/m1/s1
InChIKey AZMXAQQEABPMCX-JNJCUVBRSA-N
Mol Weight 354.5 g/mol
Molecular Formula C20H34O5
Exact Mass 354.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtfwAMNXtFt
Name Acetic acid (2aR,3S,5R,5aR,10aR,10bR)-10b-hydroxy-2,2,5,8,8,10a-hexamethyl-decahydro-7,9-dioxa-cycloocta[cd]inden-3-yl ester
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O5
InChI InChI=1S/C20H34O5/c1-12-8-15(25-13(2)21)16-17(3,4)10-19(7)11-24-18(5,6)23-9-14(12)20(16,19)22/h12,14-16,22H,8-11H2,1-7H3/t12-,14+,15+,16+,19-,20-/m1/s1
InChIKey AZMXAQQEABPMCX-JNJCUVBRSA-N
Instrument Name GC-MS Thermoquest
Ionization Type EI
Literature Reference DOI 10.1021/np020392i
Molecular Weight 354.487 g/mol
Optical Rotation [a]D25 = +8 (c = 0.65, CHCl3)
SMILES O[C@@]12[C@@]3(CC([C@@]1([C@](C[C@]([C@@]2(COC(OC3)(C)C)[H])(C)[H])(OC(=O)C)[H])[H])(C)C)C
SPLASH splash10-052e-6920000000-74513ee2d4bf0c307034
Source of Spectrum G4-66-348-23
Wiley ID 1881263