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17,18-Didehydro-11,15-O-bis(tetrahydropyran-2-yl)-PGE3 methyl ester
SpectraBase Compound ID HMI1YULdezY
InChI InChI=1S/C31H46O7/c1-3-4-7-14-24(37-30-17-10-12-21-35-30)19-20-26-25(15-8-5-6-9-16-29(33)34-2)27(32)23-28(26)38-31-18-11-13-22-36-31/h5,8,19-20,24-26,28,30-31H,3,6,9-18,21-23H2,1-2H3/b8-5+,20-19+/t24?,25-,26-,28-,30?,31?/m1/s1
InChIKey XOKXUDAWIFSDLI-DITHPFFISA-N
Mol Weight 530.7 g/mol
Molecular Formula C31H46O7
Exact Mass 530.324354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmAAoli6kA7
Name 17,18-Didehydro-11,15-O-bis(tetrahydropyran-2-yl)-PGE3 methyl ester
Alternate Name(s) (E)-7-{(1R,2R,3R)-5-Oxo-3-(tetrahydro-pyran-2-yloxy)-2-[(E)-3-(tetrahydro-pyran-2-yloxy)-oct-1-en-5-ynyl]-cyclopentyl}-hept-5-enoic acid methyl ester Methyl (5E,11beta,13E)-9-oxo-11,15-bis(tetrahydro-2H-pyran-2-yloxy)prosta-5,13-dien-17-yn-1-oate
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Formula C31H46O7
InChI InChI=1S/C31H46O7/c1-3-4-7-14-24(37-30-17-10-12-21-35-30)19-20-26-25(15-8-5-6-9-16-29(33)34-2)27(32)23-28(26)38-31-18-11-13-22-36-31/h5,8,19-20,24-26,28,30-31H,3,6,9-18,21-23H2,1-2H3/b8-5+,20-19+/t24?,25-,26-,28-,30?,31?/m1/s1
InChIKey XOKXUDAWIFSDLI-DITHPFFISA-N
Molecular Weight 530.702 g/mol
SMILES [C@]1([C@](\C=C\C(OC2OCCCC2)CC#CCC)([C@@](C\C=C\CCCC(=O)OC)(C(C1)=O)[H])[H])(OC1OCCCC1)[H]
SPLASH splash10-004i-0098100000-d6ce27bc5a7a8ff84542
Source of Spectrum F-48-1978-12
Wiley ID 1403365