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11.alpha.,13.alpha.-Carbolactone-17.alpha.-(2-oxoethyl)gona-1,3,5(10)triene
SpectraBase Compound ID Fl57XpGtA0v
InChI InChI=1S/C20H22O3/c21-10-9-13-6-8-17-15-7-5-12-3-1-2-4-14(12)18(15)16-11-20(13,17)23-19(16)22/h1-4,10,13,15-18H,5-9,11H2/t13-,15-,16+,17-,18?,20+/m0/s1
InChIKey LSVGXQZERCRLAB-CMFMFNBYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITOWKMHebq4
Name 11.alpha.,13.alpha.-Carbolactone-17.alpha.-(2-oxoethyl)gona-1,3,5(10)triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O3
InChI InChI=1S/C20H22O3/c21-10-9-13-6-8-17-15-7-5-12-3-1-2-4-14(12)18(15)16-11-20(13,17)23-19(16)22/h1-4,10,13,15-18H,5-9,11H2/t13-,15-,16+,17-,18?,20+/m0/s1
InChIKey LSVGXQZERCRLAB-CMFMFNBYSA-N
Molecular Weight 310.393 g/mol
SMILES [C@@]123OC(=O)[C@](C3)(C3c4c(cccc4)CC[C@]3([C@@]2(CC[C@]1(CC=O)[H])[H])[H])[H]
SPLASH splash10-01b9-0390000000-14c49195e464fd9473d5
Source of Spectrum F-53-7581-7
Synonyms [(1R,2S,5S,6R,16R)-17-oxo-18-oxapentacyclo[14.2.1.0(1,5).0(6,15).0(9,14)]nonadeca-9,11,13-trien-2-yl]acetaldehyde
Wiley ID 802351