Karakoline

C22H35NO4CAS 39089-30-0377.53 g/mol

Open in Covalent MOL file
NOHOHHOO
AlcoholEtherTertiary amine

Properties

Molecular formula
C22H35NO4
Molar mass
377.53 g/mol
Exact mass
377.2566 Da
Melting point
185–186 °C
logP
1.25Crippen estimate
Polar surface area
73.2 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2
Stereocentres
R, 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
39089-30-0
SMILES
CCN1C[C@]2(C)CC[C@H](O)[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
HKQZUYOVMYOFIT-ZPHHXVHGSA-N
InChI
InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22+/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1α,14α,16β)-
  • Carmicheline
  • 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-1,8,14-triol deriv.
  • (1α,14α,16β)-20-Ethyl-16-methoxy-4-methylaconitane-1,8,14-triol
  • Karacoline
  • Carmichaeline

Work with Karakoline

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

Talatisamine20501-56-865 % similar Neoline466-26-263 % similar Aconitane-1,8,14,15-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)- , (1alpha,6alpha,14alpha,15alpha,16beta)-80665-72-146 % similar 12-Epinapelline110064-71-644 % similar Songorine509-24-043 % similar Aconine509-20-636 % similar Denudatine26166-37-033 % similar Lappaconitine32854-75-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Nitrophenyl palmitate1492-30-4

Elsewhere

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