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Prostan-1-oic acid, 9,11-bis(acetyloxy)-, methyl ester, (9.beta.,11.alpha.)-
SpectraBase Compound ID 8J83NIneZ7s
InChI InChI=1S/C25H44O6/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/h21-24H,5-18H2,1-4H3/t21-,22-,23-,24-/m1/s1
InChIKey XMXFHWSODIBIKP-MOUTVQLLSA-N
Mol Weight 440.6 g/mol
Molecular Formula C25H44O6
Exact Mass 440.313789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHlefSiJunf
Name Prostan-1-oic acid, 9,11-bis(acetyloxy)-, methyl ester, (9.beta.,11.alpha.)-
CAS Registry Number 61507-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44O6
InChI InChI=1S/C25H44O6/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/h21-24H,5-18H2,1-4H3/t21-,22-,23-,24-/m1/s1
InChIKey XMXFHWSODIBIKP-MOUTVQLLSA-N
Molecular Weight 440.621 g/mol
SMILES [C@@]1(C[C@@](OC(=O)C)([C@@]([C@]1(CCCCCCC(=O)OC)[H])(CCCCCCCC)[H])[H])(OC(=O)C)[H]
SPLASH splash10-00di-0139000000-66f4796ded8184bc6865
Source of Spectrum AN-85-517-0
Synonyms (9alpha,11beta)-11-(acetyloxy)-1-methoxy-1-oxoprostan-9-yl acetate 1-r-acetoxy-2-(methyl-6'-carboxyhexyl)-3-c-(n-octanyl-4-t-acetoxy-cyclopentane
Wiley ID 1384739