(4α,8α,12α,13R,14S)-16-(1-Methylethyl)-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid
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(4α,8α,12α,13R,14S)-16-(1-Methylethyl)-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid
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CAS No:
125-66-6
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Formula:
C24H34O6
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Chemical Name:
(4α,8α,12α,13R,14S)-16-(1-Methylethyl)-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid
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Synonyms:
17,19-Dinoratis-15-ene-4,13,14-tricarboxylic acid,16-(1-methylethyl)-,(4α,8α,12α,13R,14S)-;Atis-13-ene-17,18-dioic acid,15α-carboxy-13-isopropyl-;Fumaropimaric acid;3H-3,10a-Ethanophenanthrene,17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid deriv.;(4α,8α,12α,13R,14S)-16-(1-Methylethyl)-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid;19742-24-6;21654-14-8;29283-39-4;2097107-48-5
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CAS No:
(4α,8α,12α,13R,14S)-16-(1-Methylethyl)-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid Basic Attributes
418.52300
418.52
204-748-0
68422
Characteristics
111.90000
4.29760
1.27g/cm3
170-179 °C (decomp)
617.4ºC
341.2ºC
1.582
7.83E-17mmHg at 25°C
(4α,8α,12α,13R,14S)-16-(1-Methylethyl)-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid Use and Manufacturing
17,19-Dinoratis-15-ene-4,13,14-tricarboxylic acid, 16-(1-methylethyl)-, (4.alpha.,8.alpha.,12.alpha.,13R,14S)-: INACTIVE
Computed Properties
Molecular Weight:418.5
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:418.23553880
Monoisotopic Mass:418.23553880
Topological Polar Surface Area:112
Heavy Atom Count:30
Complexity:830
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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