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Prost-13-en-1-oic acid, 9,11-bis(acetyloxy)-, methyl ester, (8.beta.,9.alpha.,11.alpha.,13E)-
SpectraBase Compound ID AgOh53EwExB
InChI InChI=1S/C25H42O6/c1-5-6-7-8-9-12-15-21-22(16-13-10-11-14-17-25(28)29-4)24(31-20(3)27)18-23(21)30-19(2)26/h12,15,21-24H,5-11,13-14,16-18H2,1-4H3/b15-12+/t21-,22+,23-,24+/m1/s1
InChIKey RKZKTKQBCHYFFE-YRKXVGEFSA-N
Mol Weight 438.6 g/mol
Molecular Formula C25H42O6
Exact Mass 438.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BjrIl7e7wQ
Name Prost-13-en-1-oic acid, 9,11-bis(acetyloxy)-, methyl ester, (8.beta.,9.alpha.,11.alpha.,13E)-
CAS Registry Number 61507-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O6
InChI InChI=1S/C25H42O6/c1-5-6-7-8-9-12-15-21-22(16-13-10-11-14-17-25(28)29-4)24(31-20(3)27)18-23(21)30-19(2)26/h12,15,21-24H,5-11,13-14,16-18H2,1-4H3/b15-12+/t21-,22+,23-,24+/m1/s1
InChIKey RKZKTKQBCHYFFE-YRKXVGEFSA-N
Molecular Weight 438.605 g/mol
SMILES [C@]1([C@@]([C@](CCCCCCC(=O)OC)([C@](C1)(OC(=O)C)[H])[H])(\C=C\CCCCCC)[H])(OC(=O)C)[H]
SPLASH splash10-066r-3819000000-dd2b5c6d7779df54fbb9
Source of Spectrum AN-85-517-0
Synonyms (8alpha,9beta,11beta,13E)-11-(acetyloxy)-1-methoxy-1-oxoprost-13-en-9-yl acetate 1-r-acetoxy-2-(6'-methoxycarbonylhexyl)-3-c-(1'-n.octenyl)-4-t-acetoxy-cyclopentane
Wiley ID 1384196