15-epi Cloprostenol

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Systematic / IUPAC Name: (5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3S)-4-(3-Chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid

ID: Reference4873

Other Names: (+)-15-epi-Cloprostenol ;
5-Heptenoic acid, 7-{(1R,2R,3R,5S)-2-[(1E,3S)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-, (5Z)- ;
D-Cloprostenol

Formula: C22H29ClO6

Spectral Data

15-epi Cloprostenol 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 2947
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 5/17/2016 12:09:04 PM
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Identificators

InChI InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18+,19+,20-,21+/m0/s1
InChI Key VJGGHXVGBSZVMZ-HBWANGNJSA-N
Canonical SMILES C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O
CAS 54276221
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Other Names (+)-15-epi-Cloprostenol ;
5-Heptenoic acid, 7-{(1R,2R,3R,5S)-2-[(1E,3S)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-, (5Z)- ;
D-Cloprostenol

In Other Databases

PubChem 13470393
ChemSpider 35294209