(1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylic acid
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(1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylic acid
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CAS No:
5947-49-9
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Formula:
C17H22O3
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Chemical Name:
(1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylic acid
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Synonyms:
1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-,(1S,4aS,10aR)-;Podocarpa-8,11,13-trien-16-oic acid,12-hydroxy-;1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-,[1S-(1α,4aα,10aβ)]-;(1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylic acid;Podocarpic acid (resin acid);(1S)-1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylic acid;(+)-Podocarpic acid;Podocarpic acid;NSC 231784
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CAS No:
Description
Podocarpic acid is an abietane diterpenoid lacking the isopropyl substituent with an aromatic C-ring and a hydroxy group at the 12-position. It derives from a hydride of a podocarpane.
(1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylic acid Basic Attributes
274.35 g/mol
274.35
227-706-3
7K80G5Z96Y
(1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylic acid Use and Manufacturing
Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
Computed Properties
Molecular Weight:274.35
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:274.15689456
Monoisotopic Mass:274.15689456
Topological Polar Surface Area:57.5
Heavy Atom Count:20
Complexity:407
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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