(5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid,(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
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![(5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid,(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/198f88e800ea4dfeaa9a25d20c8adad1.png "(5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid,(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol")
(5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid,(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
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CAS No:
108590-75-6
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Formula:
C30H45NO7
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Chemical Name:
(5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid,(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
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Synonyms:
7-Keto-pgi2-ephedrine; 7-Oxo-prostaglandin I2-ephedrine; Chinoin 169;
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CAS No:
(5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid,(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol Basic Attributes
531.68100
531.31960277
Computed Properties
Molecular Weight:531.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:531.31960277
Monoisotopic Mass:531.31960277
Topological Polar Surface Area:136
Heavy Atom Count:38
Complexity:674
Defined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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