6β-Prostaglandin I1

Systematic / IUPAC Name: (6S,8ξ,9β,11α,13E,15S)-11,15-Dihydroxy-6,9-epoxyprost-13-en-1-oic acid

ID: Reference4594

Other Names: 5,6 β-Dihydro-PGI2 ;
5,6-Dihydro-PGI2 ;
5,6-Dihydro-PGX;
5,6-Dihydroprostacyclin;
5,6-Dihydroprostaglandin I2 ; more

Formula: C20H34O5

Class: Endogenous Metabolites

Spectral Data

6β-Prostaglandin I1 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 4316
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/20/2016 6:03:12 AM
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Identificators

InChI InChI=1S/C20H34O5/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/h10-11,14-19,21-22H,2-9,12-13H2,1H3,(H,23,24)/b11-10+/t14-,15-,16+,17?,18+,19+/m0/s1
InChI Key RJADQDXZYFCVHV-JQMWNLLFSA-N
Canonical SMILES CCCCCC(C=CC1C2CC(OC2CC1O)CCCCC(=O)O)O
CAS 62770507
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Other Names 5,6 β-Dihydro-PGI2 ;
5,6-Dihydro-PGI2 ;
5,6-Dihydro-PGX;
5,6-Dihydroprostacyclin;
5,6-Dihydroprostaglandin I2 ;
6β-PGI1 ;
(6S,9 α,11α,13E,15S)-6,9-Epoxy-11,15-dihydroxyprost-13-en-1-oic acid

In Other Databases

ChemSpider 4945307
ChemIDPlus 062770507
PubChem 6441087