| SpectraBase Compound ID | B18lR8mSpuC |
|---|---|
| InChI | InChI=1S/C25H33ClO9/c1-5-6-7-8-9-10-14-24(31)18(22(30)25(26)23(24)35-25)15-20(34-17(3)28)19(33-16(2)27)12-11-13-21(29)32-4/h6-7,9-10,15,19-20,23,31H,5,8,11-14H2,1-4H3/b7-6-,10-9-,18-15-/t19-,20-,23+,24-,25-/m0/s1 |
| InChIKey | ZXSDFJZDMJBPKR-OHUDOUDKSA-N |
| Mol Weight | 513.0 g/mol |
| Molecular Formula | C25H33ClO9 |
| Exact Mass | 512.18131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IBUBPZUqMLB |
|---|---|
| Name | Punaglandin-3 - epoxide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H33ClO9 |
| InChI | InChI=1S/C25H33ClO9/c1-5-6-7-8-9-10-14-24(31)18(22(30)25(26)23(24)35-25)15-20(34-17(3)28)19(33-16(2)27)12-11-13-21(29)32-4/h6-7,9-10,15,19-20,23,31H,5,8,11-14H2,1-4H3/b7-6-,10-9-,18-15-/t19-,20-,23+,24-,25-/m0/s1 |
| InChIKey | ZXSDFJZDMJBPKR-OHUDOUDKSA-N |
| Molecular Weight | 512.983 g/mol |
| SMILES | O[C@@]1([C@@]2([C@@](O2)(C(\C1=C/[C@](OC(=O)C)([C@@](OC(=O)C)(CCCC(=O)OC)[H])[H])=O)Cl)[H])C\C=C/C\C=C/CC |
| SPLASH | splash10-0006-9012000000-dec0d503e82382b05bc0 |
| Source of Spectrum | X2-57-1352-13 |
| Synonyms | (5S,6S,7E)-5,6-diacetyloxy-7-[(1S,4S,5R)-1-chloro-4-hydroxy-4-[(2Z,5Z)-octa-2,5-dienyl]-2-oxo-6-oxabicyclo[3.1.0]hexan-3-ylidene]heptanoic acid methyl ester Methyl (5S,6S,7E)-5,6-diacetyloxy-7-[(1S,4S,5R)-1-chloro-4-hydroxy-4-[(2Z,5Z)-octa-2,5-dienyl]-2-oxo-6-oxabicyclo[3.1.0]hexan-3-ylidene]heptanoate Methyl (5S,6S,7E)-5,6-diacetoxy-7-[(1S,4S,5R)-1-chloro-4-hydroxy-4-[(2Z,5Z)-octa-2,5-dienyl]-2-oxo-6-oxabicyclo[3.1.0]hexan-3-ylidene]heptanoate Methyl (5S,6S,7E)-5,6-diacetyloxy-7-[(1S,4S,5R)-1-chloranyl-4-[(2Z,5Z)-octa-2,5-dienyl]-4-oxidanyl-2-oxidanylidene-6-oxabicyclo[3.1.0]hexan-3-ylidene]heptanoate |
| Wiley ID | 1605677 |