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(1R,6S,11aS,13S,14R,14aR)-1,13,14-Trihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one

View entire compound with spectra: 1 MS (GC)

(1R,6S,11aS,13S,14R,14aR)-1,13,14-Trihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one
SpectraBase Compound ID CasEka62f4D
InChI InChI=1S/C16H24O5/c1-10-5-3-2-4-6-11-9-13(18)16(20)15(11)12(17)7-8-14(19)21-10/h4,6-8,10-13,15-18,20H,2-3,5,9H2,1H3/b6-4+,8-7+/t10-,11+,12+,13-,15+,16-/m0/s1
InChIKey IFYXPFJEHSWLEC-AUZAGOPNSA-N
Mol Weight 296.36 g/mol
Molecular Formula C16H24O5
Exact Mass 296.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72SihRMXh8t
Name (1R,6S,11aS,13S,14R,14aR)-1,13,14-Trihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one
Alternate Name(s) (1S,2E,7S,10E,12R,13R,14R,15S)-7-methyl-12,14,15-tris(oxidanyl)-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O5
InChI InChI=1S/C16H24O5/c1-10-5-3-2-4-6-11-9-13(18)16(20)15(11)12(17)7-8-14(19)21-10/h4,6-8,10-13,15-18,20H,2-3,5,9H2,1H3/b6-4+,8-7+/t10-,11+,12+,13-,15+,16-/m0/s1
InChIKey IFYXPFJEHSWLEC-AUZAGOPNSA-N
Molecular Weight 296.363 g/mol
SMILES O[C@@]1([C@@]2([C@](\C=C\CCC[C@@](OC(\C=C\[C@]2(O)[H])=O)(C)[H])(C[C@@]1(O)[H])[H])[H])[H]
SPLASH splash10-0002-0090000000-2ec539d9c11b838e687d
Source of Spectrum U1-2011-888-5
Wiley ID 1710927