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Heptacyclo[8.4.0.0(2,7).0(3,5).0(4,8).0(9,13).0(12,14)]tetradecane-1,9-diol-6-one
SpectraBase Compound ID AMRMZU13PUL
InChI InChI=1S/C14H14O3/c15-12-6-4-5(6)11-7(12)10(4)13(16)3-1-2-8(13)9(2)14(3,11)17/h2-11,16-17H,1H2/t2?,3-,4+,5?,6?,7-,8+,9?,10+,11-,13+,14-/m1/s1
InChIKey AQFLYWSORXAACR-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HC4AgKtMG
Name Heptacyclo[8.4.0.0(2,7).0(3,5).0(4,8).0(9,13).0(12,14)]tetradecane-1,9-diol-6-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O3
InChI InChI=1S/C14H14O3/c15-12-6-4-5(6)11-7(12)10(4)13(16)3-1-2-8(13)9(2)14(3,11)17/h2-11,16-17H,1H2/t2?,3-,4+,5?,6?,7-,8+,9?,10+,11-,13+,14-/m1/s1
InChIKey AQFLYWSORXAACR-UHFFFAOYSA-N
Molecular Weight 230.263 g/mol
SMILES O[C@]12[C@]3(CC4C1[C@]4([C@@]3([C@]1([C@@]3(C4C([C@@]1([C@]2(C34)[H])[H])=O)[H])[H])O)[H])[H]
SPLASH splash10-008a-9810000000-cd1d4bf53d984ce68c0d
Source of Spectrum J-66-9065-5
Synonyms 2,10-dihydroxyheptacyclo[8.4.0.0(2,12).0(3,8).0(4,6).0(5,9).0(11,13)]tetradecan-7-one
Wiley ID 1574042