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Catalog Number | ACM112515374 |
CAS Number | 112515-37-4 |
Synonyms | (1alpha,6alpha,14alpha,16beta)-20-Ethyl-4-(hydroxymethyl)-6,16-dimethoxyaconitane-1,8,14-triol |
Molecular Weight | 423.5 |
InChI | InChI=1S/C23H37NO6/c1-4-24-9-21(10-25)6-5-14(26)23-12-7-11-13(29-2)8-22(28,15(12)17(11)27)16(20(23)24)18(30-3)19(21)23/h11-20,25-28H,4-10H2,1-3H3 |
InChI Key | RQCXQGUVPFYJCE-UHFFFAOYSA-N |
Purity | 95%+ |
Complexity | 737 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 0 |
Exact Mass | 423.2620879 |
Heavy Atom Count | 30 |
Hydrogen Bond Acceptor Count | 7 |
Hydrogen Bond Donor Count | 4 |
Monoisotopic Mass | 423.2620879 |
PhysicalState | Powder |
Rotatable Bond Count | 4 |
Topological Polar Surface Area | 103 Ų |
What is the product name of the chemical compound with CAS number 112515-37-4?
Neolinine
What are some synonyms of Neolinine?
(1alpha,6alpha,14alpha,16beta)-20-Ethyl-4-(hydroxymethyl)-6,16-dimethoxyaconitane-1,8,14-triol; Aconitane-1,8,14-triol, 20-ethyl-4-(hydroxymethyl)-6,16-dimethoxy-, (1α,6α,14α,16β)-
What is the molecular formula of Neolinine?
C23H37NO6
What is the molecular weight of Neolinine?
423.55
What is the predicted boiling point of Neolinine?
587.2±50.0 °C
What is the predicted density of Neolinine?
1.37±0.1 g/cm3
What is the predicted pKa value of Neolinine?
13.32±0.70
What is the predicted boiling point range of Neolinine?
537.2 °C - 637.2 °C
What is the predicted density range of Neolinine?
1.27 g/cm3 - 1.47 g/cm3
What is the predicted pKa value range of Neolinine?
12.62 - 14.02
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