Turkesterone

C27H44O8CAS 41451-87-0496.64 g/mol

Open in Covalent MOL file
OHHOHOOHOOHOHOH
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

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
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

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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 18Alpha-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

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