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(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-3-enoic acid
SpectraBase Compound ID 48CNvQOweVH
InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey PXGPLTODNUVGFL-YNNPMVKQSA-N
Mol Weight 354.5 g/mol
Molecular Formula C20H34O5
Exact Mass 354.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KK4Grl4QKlX
Name (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-3-enoic acid
CAS Registry Number 551-11-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O5
InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey PXGPLTODNUVGFL-YNNPMVKQSA-N
Molecular Weight 354.487 g/mol
SMILES O[C@](\C=C\[C@@]1([C@@](C\C=C/CCCC(=O)O)([C@](C[C@]1(O)[H])(O)[H])[H])[H])(CCCCC)[H]
SPLASH splash10-03xr-6971000000-3af3927b696409137b5b
Source of Spectrum KO-3-129-1
Synonyms (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
Wiley ID 1344635