chempirical

20-Hydroxyecdysone

C27H44O7CAS 5289-74-7480.64 g/mol

Open in Covalent MOL file
HOHOOHHOOOHOH
AlcoholAlkeneKetone

Properties

Molecular formula
C27H44O7
Molar mass
480.64 g/mol
Exact mass
480.3087 Da
Melting point
242 °C (decomposes)
logP
1.85Crippen estimate
Polar surface area
138.4 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
5
Stereocentres
R, R, S, S, R, R, S, R, R, Rin SMILES atom order

Identifiers

CAS number
5289-74-7
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]3CC[C@]12C
InChIKey
NKDFYOWSKOHCCO-YPVLXUMRSA-N
InChI
InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,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

27 names · show all
  • Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2β,3β,5β,22R)-
  • 5β-Cholest-7-en-6-one, 2β,3β,14,20,22,25-hexahydroxy-, (22R)-
  • 5β-Cholest-7-en-6-one, 2β,3β,14,20,22β,25-hexahydroxy-
  • (2β,3β,5β,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one
  • Ecdysterone
  • Crustecdysone
  • Isoinokosterone
  • β-Ecdysone
  • Polypodine A
  • 20-Hydroxy-α-ecdysone
  • Commisterone
  • THE 7
  • Ecdysteron
  • Crustecdyson
  • Viticosterone
  • β-Ecdysterone
  • Ecdysone
  • Polypodine C
  • Polypodin C
  • Polypodin A
  • 20R-Hydroxyecdysone
  • Ekdisten
  • (+)-Ecdysterone
  • Ecdysten
  • 2β,3β,14α,20β,22α,25-Hexahydroxycholest-7-en-6-one
  • β-Ecydisone
  • (+)-20-Hydroxyecdysone

Work with 20-Hydroxyecdysone

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

Ponasterone A13408-56-583 % similar Turkesterone41451-87-080 % similar Cyasterone17086-76-970 % similar Ecdysone3604-87-368 % similar 18α-Glycyrrhetinic acid1449-05-434 % similar Glycyrrhetinic acid471-53-434 % similar Euscaphic acid53155-25-232 % similar Alpha-boswellic acid471-66-931 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook