(Z)-5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S,4S)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pent-4-enoic acid
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![(Z)-5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S,4S)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pent-4-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/49ee2db2d66a440b88b76846fb4af104.png "(Z)-5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S,4S)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pent-4-enoic acid")
(Z)-5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S,4S)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pent-4-enoic acid
structure -
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CAS No:
130273-99-3
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Formula:
C23H32O4
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Chemical Name:
(Z)-5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S,4S)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pent-4-enoic acid
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CAS No:
(Z)-5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S,4S)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pent-4-enoic acid Basic Attributes
372.49800
372.23005950
Drug Information
4,5,18,18,19,19-hexadehydro-16,20-dimethyl-delta 6(9a)-9(O)-methano-prostaglandin I1
Computed Properties
Molecular Weight:372.5
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:372.23005950
Monoisotopic Mass:372.23005950
Topological Polar Surface Area:77.8
Heavy Atom Count:27
Complexity:660
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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