chempirical

Tigogenin

C27H44O3CAS 77-60-1416.65 g/mol

Open in Covalent MOL file
OOOH
AcetalAlcoholEther

Properties

Molecular formula
C27H44O3
Molar mass
416.65 g/mol
Exact mass
416.3290 Da
Melting point
205.5 °C
logP
5.79Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
R, R, S, S, R, S, S, S, S, S, R, Sin SMILES atom order

Identifiers

CAS number
77-60-1
SMILES
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
InChIKey
GMBQZIIUCVWOCD-MFRNJXNGSA-N
InChI
InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,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

7 names
  • Spirostan-3-ol, (3β,5α,25R)-
  • 5α-Spirostan-3β-ol, (25R)-
  • 5α-Spirostan-3β-ol
  • (3β,5α,25R)-Spirostan-3-ol
  • (25R)-5α-Spirostan-3β-ol
  • Ticogenin
  • NSC 93754

Work with Tigogenin

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

Gitogenin511-96-678 % similar (+)-Hecogenin467-55-072 % similar Tomatidine77-59-867 % similar Tomatidin hydrochloride6192-62-764 % similar Diosgenin512-04-964 % similar Yamogenin512-06-164 % similar Timosaponin A iii41059-79-462 % similar Ruscogenin472-11-759 % similar

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

Same formula

Sarsasapogenin126-19-2 Paricalcitol131918-61-1 Dromostanolone enanthate13425-31-5 Calcitriol32222-06-3 Tacalcitol57333-96-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook