Back to Search
Prostaglandin E2
CAS: 363-24-6 | C20H32O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
363-24-6
Molecular Formula:
C20H32O5
Molecular Mass:
352.47 g/mol
Names and Synonyms:
Prostaglandin E2
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, (5Z,11α,13E,15S)-
NSC 196514
NSC 165560
5-Heptenoic acid, 7-[3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl]-
5-Heptenoic acid, 7-[3α-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl]-
(5Z,11α,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
PGE2
Prostaglandin E2
U 12062
11α,15α-Dihydroxy-9-oxo-5-cis,13-trans-prostadienoic acid
(15S)-Prostaglandin E2
(-)-Prostaglandin E2
11α,15α-Dihydroxy-9-ketoprosta-5,13-dienoic acid
Dinoprostone
Prostin E2
Prepidil
l-Prostaglandin E2
l-PGE2
Minprostin E2
Prostenon
Prostenone
Cervidil
Prostin
Prostin (prostaglandin)
Glandin
Prostarmon E
Cerviprost
Propess
Minprositin E2
Enzaprost E
Primiprost
Cerviprime
11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid (5Z,11α,13E,15S)
5: PN: US20150065431 SEQID: 5 claimed sequence
7-[3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-cyclopentyl]-5-heptenoic acid
Identifiers:
SMILES:
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=CCCCC(=O)O
InChI:
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
Key Properties
Melting Point
67 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 352.47 g/mol | CAS Common Chemistry |
| 352.4710000000001 g/mol | RDKit | |
| 352.2249741239999 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCCC=CCC1C(=O)CC(O)C1C=CC(O)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XEYBRNLFEZDVAW-ARSRFYASSA-N | CAS Common Chemistry |
| Melting Point | 67 °C | CAS Common Chemistry |
| Name | Prostaglandin E2 | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.83 Ų | RDKit |
| LogP | 3.251100000000002 | RDKit |
| Molar Refractivity | 97.14340000000004 | RDKit |
