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Prosta-4,13-dien-1-oic acid, 11,15-dihydroxy-6,9-sulfonyl-, methyl ester, (4E,6S,9.alpha.,11.alpha.,13E,15S)-
SpectraBase Compound ID 723UlMXm8Io
InChI InChI=1S/C21H34O6S/c1-3-4-5-8-15(22)11-12-17-18-13-16(9-6-7-10-21(24)27-2)28(25,26)20(18)14-19(17)23/h9,11-12,15,17-20,22-23H,3-8,10,13-14H2,1-2H3/b12-11+,16-9-/t15-,17+,18+,19+,20+/m0/s1
InChIKey DOYIMSGHWXXAHM-XSCLSFBDSA-N
Mol Weight 414.6 g/mol
Molecular Formula C21H34O6S
Exact Mass 414.20761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lnj7dqz9SrY
Name Prosta-4,13-dien-1-oic acid, 11,15-dihydroxy-6,9-sulfonyl-, methyl ester, (4E,6S,9.alpha.,11.alpha.,13E,15S)-
CAS Registry Number 67140-37-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O6S
InChI InChI=1S/C21H34O6S/c1-3-4-5-8-15(22)11-12-17-18-13-16(9-6-7-10-21(24)27-2)28(25,26)20(18)14-19(17)23/h9,11-12,15,17-20,22-23H,3-8,10,13-14H2,1-2H3/b12-11+,16-9-/t15-,17+,18+,19+,20+/m0/s1
InChIKey DOYIMSGHWXXAHM-XSCLSFBDSA-N
Molecular Weight 414.557 g/mol
SMILES O[C@](\C=C\[C@@]1([C@]2(C\C(S([C@@]2(C[C@]1(O)[H])[H])(=O)=O)=C\CCCC(=O)OC)[H])[H])(CCCCC)[H]
SPLASH splash10-004j-9515000000-464b657dd81fca10848e
Source of Spectrum C-103-3493-0
Synonyms 2H-cyclopenta[b]thiophene, prosta-4,13-dien-1-oic acid deriv. Methyl (5Z)-5-{(3aR,4R,5R,6aR)-5-hydroxy-4-[(1E,3S)-3-hydroxy-1-octenyl]-1,1-dioxidohexahydro-2H-cyclopenta[b]thien-2-ylidene}pentanoate Methyl (5Z,9.alpha.,11.alpha.,13E,15S)-6,9-epithio-11,15-dihydroxyprosta-5,13-dien-1-oate S,S-dioxide
Wiley ID 1375306