Neoabietic acid
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Neoabietic acid
structure -
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CAS No:
471-77-2
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Formula:
C20H30O2
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Chemical Name:
Neoabietic acid
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Synonyms:
1-Phenanthrenecarboxylic acid,1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-,(1R,4aR,4bS,10aR)-;Podocarp-8(14)-en-15-oic acid,13-isopropylidene-;1-Phenanthrenecarboxylic acid,1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-,[1R-(1α,4aβ,4bα,10aα)]-;(1R,4aR,4bS,10aR)-1,2,3,4,4a,4b,5,6,7,9,10,10a-Dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-1-phenanthrenecarboxylic acid;Neoabietic acid;CTCM 189;NSC 5007
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CAS No:
Characteristics
37.30000
6.67
1.1±0.1 g/cm3
165-167 °C
433.4±44.0 °C at 760 mmHg
206.0±23.1 °C
1.542
Safety Information
3
36/37/38
26-36
TP8740000
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Neoabietic acid Use and Manufacturing
Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
Computed Properties
Molecular Weight:302.5
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:302.224580195
Monoisotopic Mass:302.224580195
Topological Polar Surface Area:37.3
Heavy Atom Count:22
Complexity:552
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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