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Methyl (13E)-9,11,15-trihydroxy-6-oxoprost-13-en-1-oate
SpectraBase Compound ID 9rD2hwTVJdX
InChI InChI=1S/C21H36O6/c1-3-4-5-8-15(22)11-12-17-18(20(25)14-19(17)24)13-16(23)9-6-7-10-21(26)27-2/h11-12,15,17-20,22,24-25H,3-10,13-14H2,1-2H3/b12-11+
InChIKey YHZGUPUYNUZFPZ-VAWYXSNFSA-N
Mol Weight 384.5 g/mol
Molecular Formula C21H36O6
Exact Mass 384.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfjDa6wo1Uc
Name Methyl (13E)-9,11,15-trihydroxy-6-oxoprost-13-en-1-oate
Alternate Name(s) Prost-13-en-1-oic acid, 9,11,15-trihydroxy-6-oxo-, methyl ester, (9.alpha.,11.alpha.,13E,15S)- 7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoic acid methyl ester Methyl 7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate Methyl 7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxo-heptanoate Methyl 7-[3,5-bis(oxidanyl)-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]-6-oxidanylidene-heptanoate
CAS Registry Number 63557-55-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O6
InChI InChI=1S/C21H36O6/c1-3-4-5-8-15(22)11-12-17-18(20(25)14-19(17)24)13-16(23)9-6-7-10-21(26)27-2/h11-12,15,17-20,22,24-25H,3-10,13-14H2,1-2H3/b12-11+
InChIKey YHZGUPUYNUZFPZ-VAWYXSNFSA-N
Molecular Weight 384.513 g/mol
SMILES OC1CC(C(C1CC(=O)CCCCC(=O)OC)\C=C\C(CCCCC)O)O
SPLASH splash10-052g-9600000000-5829a51ab9568dd10eb2
Source of Spectrum NP-14-176-0
Wiley ID 1111454