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

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
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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sarsasapogenin126-19-2Diastereomer

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

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

Elsewhere

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