sandaracopimaric acid
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sandaracopimaric acid
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CAS No:
471-74-9
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Formula:
C20H30O2
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Chemical Name:
sandaracopimaric acid
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Synonyms:
(1R)-1,2,3,4,4a,4bα,5,6,7,9,10,10aα-Dodecahydro-1,4aβ,7-trimethyl-7α-vinyl-1-phenanthrenecarboxylic acid;13-Methyl-17-norabieta-8(14),15-diene-18-oic acid;(1R,4aR,4bS,7R,10aR)-1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid;Sandaracopimaric Acid (Contains 10-15% Isopimaric acid);1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, (1R,4aR,4bS,7R,10aR)-;Sandaracopimaric acid,98%;(-)-Sandaracopimaric Acid;Sandaracopimaric
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CAS No:
Description
ChEBI: A natural product found in Biota orientalis.
Sandaracopimaric acid is a pimarane diterpenoid that is (1S,4aS,4bS,7R,10aS)-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene carrying a carboxy group at position 1 and a vinyl group at position 7. It is a natural product found in several plant species. It has a role as a plant metabolite. It is a tricyclic diterpenoid, a monocarboxylic acid and a pimarane diterpenoid.
Characteristics
37.30000
6.60
1.05±0.1 g/cm3(Predicted)
248 °C
413.2±45.0 °C(Predicted)
198.7±23.4 °C
1.538
4.68±0.60(Predicted)
sandaracopimaric acid Use and Manufacturing
(-)-Sandaracopimaric Acid is a terpenoid found in the leaves of Wollemia nobilis, and may be used in the self defense towards herbivores.
Computed Properties
Molecular Weight:302.5
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:302.224580195
Monoisotopic Mass:302.224580195
Topological Polar Surface Area:37.3
Heavy Atom Count:22
Complexity:534
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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