chempirical

Yamogenin

C27H42O3CAS 512-06-1414.63 g/mol

Open in Covalent MOL file
OOOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C27H42O3
Molar mass
414.63 g/mol
Exact mass
414.3134 Da
Melting point
200–201 °C
logP
5.71Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
S, 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. Search the SDS library

Identifiers

CAS number
512-06-1
SMILES
C[C@H]1CC[C@@]2(OC1)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
WQLVFSAGQJTQCK-CAKNJAFZSA-N
InChI
InChI=1S/C27H42O3/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/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • Spirost-5-en-3-ol, (3β,25S)-
  • Spirost-5-en-3β-ol, (25S)-
  • Neodiosgenin
  • (3β,25S)-Spirost-5-en-3-ol
  • Jamogenin
  • NSC 226132
  • (22R,25S)-(20α)-Spirost-5-en-3β-ol
  • 25-Epi-Diosgenin

Work with Yamogenin

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.

Diosgenin512-04-9Diastereomer

Similar compounds

Ruscogenin472-11-776 % similar Solasodine126-17-072 % similar Trillin14144-06-070 % similar Sarsasapogenin126-19-264 % similar Tigogenin77-60-164 % similar (+)-Dioscin19057-60-463 % similar Prosapogenin A19057-67-162 % similar Gracillin19083-00-261 % similar

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

Same formula

Methenolone enanthate303-42-4

Elsewhere

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