For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-6,9-sulfinyl-, methyl ester, [5E,6(S),9.alpha.,11.alpha.,13E,15S]-
SpectraBase Compound ID 6bBTziwL4oD
InChI InChI=1S/C21H34O5S/c1-3-4-5-8-15(22)11-12-17-18-13-16(9-6-7-10-21(24)26-2)27(25)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-
InChIKey STADWTBZTVSNQZ-XRLNRVILSA-N
Mol Weight 398.6 g/mol
Molecular Formula C21H34O5S
Exact Mass 398.212695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9lpdPmprh0t
Name Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-6,9-sulfinyl-, methyl ester, [5E,6(S),9.alpha.,11.alpha.,13E,15S]-
CAS Registry Number 67140-39-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O5S
InChI InChI=1S/C21H34O5S/c1-3-4-5-8-15(22)11-12-17-18-13-16(9-6-7-10-21(24)26-2)27(25)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-
InChIKey STADWTBZTVSNQZ-XRLNRVILSA-N
Molecular Weight 398.558 g/mol
SMILES OC(\C=C\C1C2C\C(S(C2CC1O)=O)=C\CCCC(=O)OC)CCCCC
SPLASH splash10-006t-9811000000-85a7b245d03938d9bade
Source of Spectrum C-103-3494-0
Synonyms Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-6,9-sulfinyl-, methyl ester, [5Z,6(R),9.alpha.,11.alpha.,13E,15S]- 2H-Cyclopenta[b]thiophene, prosta-5,13-dien-1-oic acid deriv. Methyl (5Z)-5-{5-hydroxy-4-[(1E)-3-hydroxy-1-octenyl]-1-oxidohexahydro-2H-cyclopenta[b]thien-2-ylidene}pentanoate Methyl[5E,6R,9.alpha.,11.alpha.,13E,15S]-6,9-epithio-11,15-dihydroxyprosta-5,13-dien-1-oate S-oxide
Wiley ID 1368372