17-Phenyl trinor pgf2alpha-ipr

C₂₆H₃₈O₅CAS 130209-76-6430.59 g/mol

Open in Covalent MOL file

Alcohol Alkene Ester

Properties

Molecular formula: C₂₆H₃₈O₅
Molar mass: 430.59 g/mol
Exact mass: 430.2719 Da
logP: 3.96Crippen estimate
Polar surface area: 87.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 12
Stereocentres: R, S, R, R, Sin SMILES atom order
Double bonds: Z, EE/Z, in SMILES order

Identifiers

CAS number

130209-76-6

SMILES

CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O

InChIKey

JGZRPRSJSQLFBO-FWPUOYPASA-N

InChI

InChI=1S/C26H38O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,16-17,19,21-25,27-29H,4,9,12-15,18H2,1-2H3/b8-3-,17-16+/t21-,22+,23+,24-,25+/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

17-Phenyl-trinor-PGF2alpha isopropyl ester

Work with 17-Phenyl trinor pgf2alpha-ipr

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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