(1R,4aR,5R,8R,8aR)-8-(Benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid
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![(1R,4aR,5R,8R,8aR)-8-(Benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1e6f472357c646eb89b0f101ab0198ee.png "(1R,4aR,5R,8R,8aR)-8-(Benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid")
(1R,4aR,5R,8R,8aR)-8-(Benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid
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CAS No:
116425-30-0
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Formula:
C27H36O5
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Chemical Name:
(1R,4aR,5R,8R,8aR)-8-(Benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid
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Synonyms:
1-Naphthalenecarboxylic acid,8-(benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-,(1R,4aR,5R,8R,8aR)-;1-Naphthalenecarboxylic acid,8-(benzoyloxy)decahydro-5-(5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene-,[1R-[1α,4aβ,5α(E),8β,8aα]]-;1-Naphthalenecarboxylic acid,8-(benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-pentenyl]-1,4a-dimethyl-6-methylene-,(1R,4aR,5R,8R,8aR)-;(1R,4aR,5R,8R,8aR)-8-(Benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid;Scoparic acid A
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CAS No:
Description
Scoparic acid A is a diterpenoid isolated from Scoparia dulcis and has been shown to exhibit inhibitory activity against beta-glucuronidase from bovine liver. It has a role as a metabolite and an EC 3.2.1.31 (beta-glucuronidase) inhibitor. It is a diterpenoid, a benzoate ester, a hydroxy monocarboxylic acid, a primary alcohol and a carbobicyclic compound.
(1R,4aR,5R,8R,8aR)-8-(Benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid Basic Attributes
440.57200
440.57
Computed Properties
Molecular Weight:440.6
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:440.25627424
Monoisotopic Mass:440.25627424
Topological Polar Surface Area:83.8
Heavy Atom Count:32
Complexity:749
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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