1-Methylethyl 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]-5-heptenoate
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![1-Methylethyl 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]-5-heptenoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bea2f153704043db9a46dd4003379c90.png "1-Methylethyl 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]-5-heptenoate")
1-Methylethyl 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]-5-heptenoate
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CAS No:
155551-81-8
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Formula:
C26H40O5
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Chemical Name:
1-Methylethyl 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]-5-heptenoate
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Synonyms:
5-Heptenoic acid,7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]-,1-methylethyl ester;1-Methylethyl 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]-5-heptenoate;PhXA 34
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CAS No:
1-Methylethyl 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]-5-heptenoate Basic Attributes
432.6 g/mol
432.59
Safety Information
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P264, P270, P281, P301+P310, P308+P313, P321, P330, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:432.6
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:14
Exact Mass:432.28757437
Monoisotopic Mass:432.28757437
Topological Polar Surface Area:87
Heavy Atom Count:31
Complexity:526
Undefined Atom Stereocenter Count:5
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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