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(3E,5E)-7-[(1R)-3α,5α-Dihydroxy-2β-[(E,R)-4-phenoxy-3-hydroxy-1-butenyl]cyclopentan-1α-yl]-3,5-heptadienoic acid methyl ester

HCID 6434883
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Basic information

CAS
64812-77-7
Standard SMILES
COC(=O)C/C=C/C=C/C[C@@H]1[C@@H](/C=C/C(O)COc2ccccc2)[C@H](O)C[C@@H]1O
InChIKey
XIVGINHUYULOGM-KKIBUEMKSA-N
Molecular formula
C23H30O6
Average molar mass
402.48 g/mol

Names & identifiers

Preferred name
(3E,5E)-7-[(1R)-3α,5α-Dihydroxy-2β-[(E,R)-4-phenoxy-3-hydroxy-1-butenyl]cyclopentan-1α-yl]-3,5-heptadienoic acid methyl ester
English name
(3E,5E)-7-[(1R)-3α,5α-Dihydroxy-2β-[(E,R)-4-phenoxy-3-hydroxy-1-butenyl]cyclopentan-1α-yl]-3,5-heptadienoic acid methyl ester
Molecular formula
C23H30O6
Molecular weight
402.48

Names & synonyms

Reaxys ID: 304074016-phenoxy-17,18,19,20-tetranor-3,4-cis-didehydroprostaglandin F2α methyl ester16-phenoxy-17,18,19,20-tetranor-3,4-trans,cis-didehydroprostaglandin F2α methyl ester16-phenoxy-17,18,19,20-tetranor-3,4-trans-5,6-trans-tetradehydroprostaglamdin F1α methyl ester(3E,5E)-7-[(1R)-3α,5α-Dihydroxy-2β-[(E,R)-4-phenoxy-3-hydroxy-1-butenyl]cyclopentan-1α-yl]-3,5-heptadienoic acid methyl ester3,5-Heptadienoic acid, 7-[3,5-dihydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)cyclopentyl]-, methyl ester, [1R-[1α(3E,5E),2β(1E,3R*),3α,5α]]- (9CI)

Database identifiers

CAS
64812-77-7
PubChem CID
6434883

Properties

Physicochemical properties

Boiling point
570.9 · 570.9±50.0 °C(Predicted)
Density
1.224 · 1.224±0.06 g/cm3(Predicted)
pka
13.57 · 13.57±0.20(Predicted)

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