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Home > Encyclopedia > Methyl (1S,4aR,5S,8aR)-5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate

Methyl (1S,4aR,5S,8aR)-5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate

Methyl (1S,4aR,5S,8aR)-5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate structure

Methyl (1S,4aR,5S,8aR)-5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate 

structure
  • CAS No:

    31685-80-0

  • Formula:

    C21H30O4

  • 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

  • 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

  • Categories:

    Natural Products  >  Terpenes

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)

Drug Information

pinusolide

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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