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Constanolactone C Peracetate

View entire compound with spectra: 1 MS (GC)

Constanolactone C Peracetate
SpectraBase Compound ID 2B104LMwipA
InChI InChI=1S/C24H34O6/c1-4-5-6-7-8-9-11-19(28-17(2)25)14-15-23(29-18(3)26)21-16-20(21)22-12-10-13-24(27)30-22/h5-6,8-9,14-15,19-23H,4,7,10-13,16H2,1-3H3/b6-5-,9-8-,15-14+/t19-,20-,21-,22+,23-/m0/s1
InChIKey MDZRYBWQVKKCPO-AUWDYOAHSA-N
Mol Weight 418.5 g/mol
Molecular Formula C24H34O6
Exact Mass 418.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJWrFao83dH
Name Constanolactone C Peracetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O6
InChI InChI=1S/C24H34O6/c1-4-5-6-7-8-9-11-19(28-17(2)25)14-15-23(29-18(3)26)21-16-20(21)22-12-10-13-24(27)30-22/h5-6,8-9,14-15,19-23H,4,7,10-13,16H2,1-3H3/b6-5-,9-8-,15-14+/t19-,20-,21-,22+,23-/m0/s1
InChIKey MDZRYBWQVKKCPO-AUWDYOAHSA-N
Molecular Weight 418.530 g/mol
SMILES [C@@]1([C@@]([C@](\C=C\[C@@](OC(=O)C)(C\C=C/C\C=C/CC)[H])(OC(=O)C)[H])(C1)[H])([C@@]1(OC(=O)CCC1)[H])[H]
SPLASH splash10-052v-5950000000-1ee10b46b533822c2fa8
Source of Spectrum J-59-7235-19
Synonyms (1S,2E,4S,6Z,9Z)-4-(acetyloxy)-1-{(1S,2S)-2-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]cyclopropyl}-2,6,9-dodecatrienyl acetate Acetic acid (2E,6Z,9Z)-(1S,4S)-4-acetoxy-1-[(1S,2S)-2-((R)-6-oxo-tetrahydro-pyran-2-yl)-cyclopropyl]-dodeca-2,6,9-trienyl ester Acetic acid[(1S,2E,4S,6Z,9Z)-1-acetyloxy-1-[(1S,2S)-2-[(2R)-6-oxo-2-oxanyl]cyclopropyl]dodeca-2,6,9-trien-4-yl]ester Acetic acid[(1S,3Z,6Z)-1-[(E,3S)-3-acetoxy-3-[(1S,2S)-2-[(2R)-6-ketotetrahydropyran-2-yl]cyclopropyl]prop-1-enyl]nona-3,6-dienyl]ester [(1S,2E,4S,6Z,9Z)-1-acetyloxy-1-[(1S,2S)-2-[(2R)-6-oxidanylideneoxan-2-yl]cyclopropyl]dodeca-2,6,9-trien-4-yl]ethanoate [(1S,2E,4S,6Z,9Z)-1-acetyloxy-1-[(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropyl]dodeca-2,6,9-trien-4-yl]acetate [(1S,3Z,6Z)-1-[(E,3S)-3-acetoxy-3-[(1S,2S)-2-[(2R)-6-oxotetrahydropyran-2-yl]cyclopropyl]prop-1-enyl]nona-3,6-dienyl]acetate Acetic acid [(1S,2E,4S,6Z,9Z)-1-acetyloxy-1-[(1S,2S)-2-[(2R)-6-oxo-2-oxanyl]cyclopropyl]dodeca-2,6,9-trien-4-yl] ester [(1S,2E,4S,6Z,9Z)-1-acetyloxy-1-[(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropyl]dodeca-2,6,9-trien-4-yl] acetate [(1S,3Z,6Z)-1-[(E,3S)-3-acetoxy-3-[(1S,2S)-2-[(2R)-6-oxotetrahydropyran-2-yl]cyclopropyl]prop-1-enyl]nona-3,6-dienyl] acetate [(1S,2E,4S,6Z,9Z)-1-acetyloxy-1-[(1S,2S)-2-[(2R)-6-oxidanylideneoxan-2-yl]cyclopropyl]dodeca-2,6,9-trien-4-yl] ethanoate
Wiley ID 1377271