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(11S)-3.alpha.-acetoxyguaia-1(10),4(15)-dieno-12,6.alpha.-lactone
SpectraBase Compound ID 1qi4KdlNVJF
InChI InChI=1S/C17H22O4/c1-8-5-6-12-9(2)17(19)21-16(12)15-10(3)14(7-13(8)15)20-11(4)18/h9,12,14-16H,3,5-7H2,1-2,4H3/t9-,12-,14?,15?,16?/m1/s1
InChIKey QXMKMAIZZGXGRF-UKEKUDDLSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXtAGYHMzms
Name (11S)-3.alpha.-acetoxyguaia-1(10),4(15)-dieno-12,6.alpha.-lactone
Alternate Name(s) (3R,3aR,8S)-3,6-dimethyl-9-methylene-2-oxo-2,3,3a,4,5,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-8-yl acetate
CAS Registry Number 82206-91-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-8-5-6-12-9(2)17(19)21-16(12)15-10(3)14(7-13(8)15)20-11(4)18/h9,12,14-16H,3,5-7H2,1-2,4H3/t9-,12-,14?,15?,16?/m1/s1
InChIKey QXMKMAIZZGXGRF-UKEKUDDLSA-N
Molecular Weight 290.359 g/mol
SMILES C=12C(C3OC(=O)[C@@]([C@]3(CCC1C)[H])(C)[H])C(=C)C(C2)OC(=O)C
SPLASH splash10-001i-0690000000-2ae2686c88b391179f84
Source of Spectrum J-54-1957-28
Wiley ID 1293731