chempirical

Turkesterone

C27H44O8CAS 41451-87-0496.64 g/mol

Open in Covalent MOL file
HOHOOHHOOOHOHOH
AlcoholAlkeneKetone

Properties

Molecular formula
C27H44O8
Molar mass
496.64 g/mol
Exact mass
496.3036 Da
logP
0.82Crippen estimate
Polar surface area
158.7 Ų
H-bond donors / acceptors
7 / 8
Rotatable bonds
5
Stereocentres
R, R, S, S, R, R, S, R, R, R, Rin SMILES atom order

Identifiers

CAS number
41451-87-0
SMILES
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
InChIKey
WSBAGDDNVWTLOM-XHZKDPLLSA-N
InChI
InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17+,18-,19+,20-,21+,22+,24-,25+,26+,27+/m0/s1

Weigh it out

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

Names and synonyms

2 names
  • Cholest-7-en-6-one, 2,3,11,14,20,22,25-heptahydroxy-, (2β,3β,5β,11α,22R)-
  • (2β,3β,5β,11α,22R)-2,3,11,14,20,22,25-Heptahydroxycholest-7-en-6-one

Work with Turkesterone

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

20-Hydroxyecdysone5289-74-780 % similar Ponasterone A13408-56-567 % similar Cyasterone17086-76-957 % similar Ecdysone3604-87-356 % similar 18α-Glycyrrhetinic acid1449-05-434 % similar Glycyrrhetinic acid471-53-434 % similar Stearyl glycyrrhetinate13832-70-730 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook