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2,11-Dioxa-1.alpha.,4.beta.,9.beta.,13.alpha.-tricyclo[11.4.0.0(4,9)]heptadec-16-en-12-one
SpectraBase Compound ID 4COwtnspJ9K
InChI InChI=1S/C15H22O3/c16-15-13-7-3-4-8-14(13)17-9-11-5-1-2-6-12(11)10-18-15/h4,8,11-14H,1-3,5-7,9-10H2/t11-,12+,13-,14+/m0/s1
InChIKey MPCRZPRTRYBWSC-RFQIPJPRSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCggDBQlzBx
Name 2,11-Dioxa-1.alpha.,4.beta.,9.beta.,13.alpha.-tricyclo[11.4.0.0(4,9)]heptadec-16-en-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c16-15-13-7-3-4-8-14(13)17-9-11-5-1-2-6-12(11)10-18-15/h4,8,11-14H,1-3,5-7,9-10H2/t11-,12+,13-,14+/m0/s1
InChIKey MPCRZPRTRYBWSC-RFQIPJPRSA-N
Molecular Weight 250.338 g/mol
SMILES C1([C@@]2([C@](OC[C@]3([C@@](CO1)(CCCC3)[H])[H])(C=CCC2)[H])[H])=O
SPLASH splash10-0a4i-9500000000-3e879f3d9e18dd8204f1
Source of Spectrum KC-0-887-20
Synonyms (4aR,6aR,10aS,13aS)-1,2,4a,6,6a,7,8,9,10,10a,11,13a-dodecahydro-13H-dibenzo[b,g][1,5]dioxonin-13-one 2,11-Dioxa-1.alpha.,4.alpha.,9.alpha.,13.alpha.-tricyclo[11.4.0.0(4,9)]heptadec-16-en-12-one
Wiley ID 824402