Talatisamine

C24H39NO5CAS 20501-56-8421.58 g/mol

Open in Covalent MOL file
NOOOHHOO
AlcoholEtherTertiary amine

Properties

Molecular formula
C24H39NO5
Molar mass
421.58 g/mol
Exact mass
421.2828 Da
Melting point
138–140 °C
logP
1.53Crippen estimate
Polar surface area
71.4 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5
Stereocentres
S, S, R, R, S, S, R, S, S, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
20501-56-8
SMILES
CCN1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14
InChIKey
BDCURAWBZJMFIK-IBNAPJPSSA-N
InChI
InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24+/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Aconitane-8,14-diol, 20-ethyl-1,16-dimethoxy-4-(methoxymethyl)-, (1α,14α,16β)-
  • 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-8,14-diol deriv.
  • (1α,14α,16β)-20-Ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol
  • Talatizamine

Work with Talatisamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Neoline466-26-268 % similar Karakoline39089-30-065 % similar Aconitane-1,8,14,15-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)- , (1alpha,6alpha,14alpha,15alpha,16beta)-80665-72-150 % similar Aconine509-20-640 % similar Deoxyaconitine3175-95-939 % similar Bulleyaconitine A107668-79-138 % similar Crassicauline A79592-91-938 % similar Lappaconitine32854-75-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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