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12-Oxatricyclo[7.2.1.01,4]dodeca-5,7-diene-5-methanol, 2,2,9-trimethyl-, acetate, [1S-(1.alpha.,4.beta.,9.alpha.)]-
SpectraBase Compound ID 5cTMm68U8TD
InChI InChI=1S/C17H24O3/c1-12(18)19-11-13-6-5-7-16(4)8-9-17(20-16)14(13)10-15(17,2)3/h5-7,14H,8-11H2,1-4H3/b7-5-,13-6-/t14-,16-,17+/m1/s1
InChIKey UUPPUEMGPOWALC-YISOBMRGSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9J0P4jJA9L3
Name 12-Oxatricyclo[7.2.1.01,4]dodeca-5,7-diene-5-methanol, 2,2,9-trimethyl-, acetate, [1S-(1.alpha.,4.beta.,9.alpha.)]-
CAS Registry Number 126637-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-12(18)19-11-13-6-5-7-16(4)8-9-17(20-16)14(13)10-15(17,2)3/h5-7,14H,8-11H2,1-4H3/b7-5-,13-6-/t14-,16-,17+/m1/s1
InChIKey UUPPUEMGPOWALC-YISOBMRGSA-N
Molecular Weight 276.376 g/mol
SMILES [C@]123[C@](\C(=C/C=C\[C@](O3)(C)CC1)COC(=O)C)([H])CC2(C)C
SPLASH splash10-00l7-3910000000-f74e724eae3a7a1df7d0
Source of Spectrum KC-1989-1941-0
Synonyms Punctaporonin G acetate [(1S,4R,9S)-2,2,9-trimethyl-12-oxatricyclo[7.2.1.0(1,4)]dodeca-5,7-dien-5-yl]methyl acetate
Wiley ID 1280361