(E)-5-[(1S,4aα)-Decahydro-5β-hydroxymethyl-5,8a-dimethyl-2-methylenenaphthalen-1β-yl]-3-methyl-2-pentenoic acid
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![(E)-5-[(1S,4aα)-Decahydro-5β-hydroxymethyl-5,8a-dimethyl-2-methylenenaphthalen-1β-yl]-3-methyl-2-pentenoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fcc42ad0e8c94ff5b57e2ac6c312f479.png "(E)-5-[(1S,4aα)-Decahydro-5β-hydroxymethyl-5,8a-dimethyl-2-methylenenaphthalen-1β-yl]-3-methyl-2-pentenoic acid")
(E)-5-[(1S,4aα)-Decahydro-5β-hydroxymethyl-5,8a-dimethyl-2-methylenenaphthalen-1β-yl]-3-methyl-2-pentenoic acid
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CAS No:
25671-16-3
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Formula:
C20H32O3
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Chemical Name:
(E)-5-[(1S,4aα)-Decahydro-5β-hydroxymethyl-5,8a-dimethyl-2-methylenenaphthalen-1β-yl]-3-methyl-2-pentenoic acid
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Synonyms:
Agatholic acid
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CAS No:
(E)-5-[(1S,4aα)-Decahydro-5β-hydroxymethyl-5,8a-dimethyl-2-methylenenaphthalen-1β-yl]-3-methyl-2-pentenoic acid Basic Attributes
320.46628
320.235
Computed Properties
Molecular Weight:320.5
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:320.23514488
Monoisotopic Mass:320.23514488
Topological Polar Surface Area:57.5
Heavy Atom Count:23
Complexity:507
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(E)-5-[(1S,4aα)-Decahydro-5β-hydroxymethyl-5,8a-dimethyl-2-methylenenaphthalen-1β-yl]-3-methyl-2-pentenoic acid
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