chempirical

Allylestrenol

C21H32OCAS 432-60-0300.49 g/mol

Open in Covalent MOL file
HO
AlcoholAlkene

Properties

Molecular formula
C21H32O
Molar mass
300.49 g/mol
Exact mass
300.2453 Da
Melting point
80 °C
logP
5.26Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
R, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
432-60-0
SMILES
C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
InChIKey
ATXHVCQZZJYMCF-XUDSTZEESA-N
InChI
InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • Estr-4-en-17-ol, 17-(2-propen-1-yl)-, (17β)-
  • Estr-4-en-17β-ol, 17-allyl-
  • Estr-4-en-17-ol, 17-(2-propenyl)-, (17β)-
  • (17β)-17-(2-Propen-1-yl)estr-4-en-17-ol
  • 17α-Allylestr-4-en-17β-ol
  • 17α-Allyl-17β-hydroxy-δ4-estren
  • Gestanin
  • Gestanon
  • 17α-Allylestrenol
  • Gestanol
  • Orageston
  • Turinal
  • 17α-Allyl-4-oestren-17β-ol
  • NSC 37723

Work with Allylestrenol

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

Ethylestrenol965-90-275 % similar Lynestrenol52-76-660 % similar Norethandrolone52-78-849 % similar Methylnortestosterone514-61-442 % similar Gestonorone2137-18-039 % similar Norethindrone68-22-439 % similar Desogestrel54024-22-537 % similar Ethynodiol diacetate297-76-733 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook