Methyl (1S,4aR,5S,8aR)-5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate
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Methyl (1S,4aR,5S,8aR)-5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate
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CAS No:
31685-80-0
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Formula:
C21H30O4
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Chemical Name:
Methyl (1S,4aR,5S,8aR)-5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate
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Synonyms:
1-Naphthalenecarboxylic acid,5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-,methyl ester,(1S,4aR,5S,8aR)-;1-Naphthalenecarboxylic acid,5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-,methyl ester,[1S-(1α,4aα,5α,8aβ)]-;Labda-8(20),13-diene-16,19-dioic acid,15-hydroxy-,γ-lactone,methyl ester;Methyl (1S,4aR,5S,8aR)-5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate;Pinusolide
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CAS No:
Description
ChEBI: A natural product found in Biota orientalis.
Solid
Pinusolide is a diterpene lactone. It has a role as a metabolite.
Methyl (1S,4aR,5S,8aR)-5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate Basic Attributes
346.4605
346.46
Characteristics
52.6
4.52
1.1±0.1 g/cm3
82-84 °C @ Solvent: Ligroine
465.3±38.0 °C at 760 mmHg
228.5±25.2 °C
1.524
0.2962 mg/L @ 25 °C (est)
Computed Properties
Molecular Weight:346.5
XLogP3:4.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:346.21440943
Monoisotopic Mass:346.21440943
Topological Polar Surface Area:52.6
Heavy Atom Count:25
Complexity:619
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl (1S,4aR,5S,8aR)-5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate
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