chempirical

Solasodine

C27H43NO2CAS 126-17-0413.65 g/mol

Open in Covalent MOL file
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

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

Weigh it out

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

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

Diosgenin512-04-972 % similar Yamogenin512-06-172 % similar Tomatidine77-59-863 % similar Solamargine20311-51-763 % similar Solasonine19121-58-562 % similar (3β,22β,25S)-Spirosol-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-galactopyranoside20318-30-362 % similar Tomatidin hydrochloride6192-62-761 % similar Ruscogenin472-11-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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