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Catalog Number | ACM4829565 |
CAS Number | 4829-56-5 |
Synonyms | 20-Ethyl-7,8-dihydroxy-1α,6β,16β-trimethoxy-4-(methoxymethyl)aconitan-14-one |
Molecular Weight | 465.6 |
InChI | InChI=1S/C25H39NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-17,19-21,28-29H,6-12H2,1-5H3 |
InChI Key | MWOQLGAENOKSHS-UHFFFAOYSA-N |
Purity | 95%+ |
Complexity | 855 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 0 |
Exact Mass | 465.27265258 |
Heavy Atom Count | 33 |
Hydrogen Bond Acceptor Count | 8 |
Hydrogen Bond Donor Count | 2 |
Monoisotopic Mass | 465.27265258 |
PhysicalState | Powder |
Rotatable Bond Count | 6 |
Topological Polar Surface Area | 97.7 Ų |
What is the chemical formula of 14-DEHYDROBROWNIINE?
The chemical formula of 14-DEHYDROBROWNIINE is C25H39NO7.
What is the molecular weight of 14-DEHYDROBROWNIINE?
The molecular weight of 14-DEHYDROBROWNIINE is 465.58.
What is the CAS number for 14-DEHYDROBROWNIINE?
The CAS number for 14-DEHYDROBROWNIINE is 4829-56-5.
What is the boiling point of 14-DEHYDROBROWNIINE?
The boiling point of 14-DEHYDROBROWNIINE is approximately 568.73°C.
What is the density of 14-DEHYDROBROWNIINE?
The density of 14-DEHYDROBROWNIINE is roughly 1.1902.
What is the refractive index of 14-DEHYDROBROWNIINE?
The refractive index of 14-DEHYDROBROWNIINE is estimated to be 1.6000.
What is the pKa of 14-DEHYDROBROWNIINE?
The pKa of 14-DEHYDROBROWNIINE is predicted to be 12.32±0.70.
What are some synonyms for 14-DEHYDROBROWNIINE?
Some synonyms for 14-DEHYDROBROWNIINE include 20-Ethyl-7,8-dihydroxy-1α,6β,16β-trimethoxy-4-(methoxymethyl)aconitan-14-one and Aconitan-14-one, 20-ethyl-7,8-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,6β,16β)-.
How is 14-DEHYDROBROWNIINE predicted to behave in terms of acidity?
14-DEHYDROBROWNIINE is predicted to have a pKa of 12.32±0.70, indicating that it is likely to behave as a weak base.
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