Cas no 100311-07-7 (Prosta-5,13-dien-1-oicacid, 6,9-epoxy-11-hydroxy-15-oxo-, (5Z,9a,11a,13E)- (9CI))
100311-07-7 structure
Product Name:Prosta-5,13-dien-1-oicacid, 6,9-epoxy-11-hydroxy-15-oxo-, (5Z,9a,11a,13E)- (9CI)
CAS No:100311-07-7
MF:C20H30O5
MW:350.449206829071
CID:179029
PubChem ID:5280740
Update Time:2025-04-19
Prosta-5,13-dien-1-oicacid, 6,9-epoxy-11-hydroxy-15-oxo-, (5Z,9a,11a,13E)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Prosta-5,13-dien-1-oicacid, 6,9-epoxy-11-hydroxy-15-oxo-, (5Z,9a,11a,13E)- (9CI)
- 15-ketoprostaglandin I2
- (5E,9alpha,11alpha,13E)-11-hydroxy-15-oxo-6,9-epoxyprosta-5,13-dien-1-oic acid
- (5Z,9alpha,11alpha,13E)-11-hydroxy-15-oxo-6,9-epoxyprosta-5,13-dien-1-oic acid
- 15-Keto-pgi2
- Prosta-5,13-dien-1-oic acid, 6,9-epoxy-11-hydroxy-15-oxo-, (5Z,9alpha,11alpha,13E)-
- 100311-07-7
- (5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
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- Inchi： 1S/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,16-19,22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8+/t16-,17-,18-,19+/m1/s1
- InChI Key： YCLHGWBUIYKBPM-NBFHXWIWSA-N
- SMILES： O1/C(=C/CCCC(=O)O)/C[C@@H]2[C@@H](/C=C/C(CCCCC)=O)[C@@H](C[C@H]12)O
Computed Properties
- Exact Mass: 350.209324g/mol
- Monoisotopic Mass: 350.209324g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 10
- Complexity: 522
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- Molecular Weight: 350.4g/mol
- XLogP3: 2.8
- Topological Polar Surface Area: 83.8?2
Prosta-5,13-dien-1-oicacid, 6,9-epoxy-11-hydroxy-15-oxo-, (5Z,9a,11a,13E)- (9CI) Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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