Solasodine

C27H43NO2CAS 126-17-0413.65 g/mol

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NHOOH
AlcoholAlkeneEtherSecondary amine

Properties

Molecular formula
C27H43NO2
Molar mass
413.65 g/mol
Exact mass
413.3294 Da
Melting point
200–202 °C
logP
5.29Crippen estimate
Polar surface area
41.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0
Stereocentres
R, R, S, S, S, S, R, S, S, R, Sin 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
126-17-0
SMILES
C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
InChIKey
KWVISVAMQJWJSZ-VKROHFNGSA-N
InChI
InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

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Names and synonyms

10 names
  • Spirosol-5-en-3-ol, (3β,22α,25R)-
  • Solasod-5-en-3β-ol
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-piperidine], spirosol-5-en-3-ol deriv.
  • (3β,22α,25R)-Spirosol-5-en-3-ol
  • Purapuridine
  • Solancarpidine
  • Solasodin
  • NSC 178260
  • NSC 179187
  • (-)-Solasodine

Work with Solasodine

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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