Prosta-5,13-dien-1-oic acid, 6,9-epithio-11,15-dihydroxy-, methyl ester, (5E,9.alpha.,11.alpha.,13E,15S)-

SpectraBase Compound ID	KPgCzd2ur2W
InChI	InChI=1S/C21H34O4S/c1-3-4-5-8-15(22)11-12-17-18-13-16(26-20(18)14-19(17)23)9-6-7-10-21(24)25-2/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	NARJZAGAYYMSRN-XSCLSFBDSA-N Google Search
Mol Weight	382.6 g/mol
Molecular Formula	C21H34O4S
Exact Mass	382.217781 g/mol

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SpectraBase Spectrum ID	5NhGYcIdUEE
Name	Prosta-5,13-dien-1-oic acid, 6,9-epithio-11,15-dihydroxy-, methyl ester, (5E,9.alpha.,11.alpha.,13E,15S)-
Alternate Name(s)	2H-Cyclopenta[b]thiophene, prosta-5,13-dien-1-oic acid deriv. Methyl (5Z)-5-{(3aR,4R,5R,6aR)-5-hydroxy-4-[(1E,3S)-3-hydroxy-1-octenyl]hexahydro-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 Methyl ester of (5Z)-thiaprostacyclin (5Z)-5-[(3aR,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]thiophen-2-ylidene]pentanoic acid methyl ester Methyl (5Z)-5-[(3aR,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]thiophen-2-ylidene]pentanoate Methyl (5Z)-5-[(3aR,4R,5R,6aR)-5-oxidanyl-4-[(E,3S)-3-oxidanyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]thiophen-2-ylidene]pentanoate
CAS Registry Number	78422-26-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H34O4S
InChI	InChI=1S/C21H34O4S/c1-3-4-5-8-15(22)11-12-17-18-13-16(26-20(18)14-19(17)23)9-6-7-10-21(24)25-2/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	NARJZAGAYYMSRN-XSCLSFBDSA-N
Molecular Weight	382.559 g/mol
SMILES	O[C@](\C=C\[C@@]1([C@@]2([C@@](C[C@]1(O)[H])(S\C(C2)=C\CCCC(=O)OC)[H])[H])[H])(CCCCC)[H]
SPLASH	splash10-00fs-9311000000-f05af8e3578808db5502
Source of Spectrum	C-103-3479-0
Wiley ID	1360562