chempirical

Sarsasapogenin

C27H44O3CAS 126-19-2416.65 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
200.5 °C
logP
5.79Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
S, R, S, S, R, R, S, S, S, S, R, Sin SMILES atom order

Identifiers

CAS number
126-19-2
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-WWASVFFGSA-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+/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • Spirostan-3-ol, (3β,5β,25S)-
  • 5β-Spirostan-3β-ol, (25S)-
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], spirostan-3-ol deriv.
  • (3β,5β,25S)-Spirostan-3-ol
  • Parigenin
  • NSC 1615
  • Sarsagenin
  • Yucconin

Work with Sarsasapogenin

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

Paricalcitol131918-61-1 Dromostanolone enanthate13425-31-5 Calcitriol32222-06-3 Tacalcitol57333-96-7 Tigogenin77-60-1

Elsewhere

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