chempirical

Tibolone

C21H28O2CAS 5630-53-5312.45 g/mol

Open in Covalent MOL file
HOO
AlcoholAlkeneAlkyneKetone

Properties

Molecular formula
C21H28O2
Molar mass
312.45 g/mol
Exact mass
312.2089 Da
Melting point
167 °C
logP
3.88Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
R, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
5630-53-5
SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C
InChIKey
WZDGZWOAQTVYBX-XOINTXKNSA-N
InChI
InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-7-methyl-, (7α,17α)-
  • 19-Nor-17α-pregn-5(10)-en-20-yn-3-one, 17-hydroxy-7α-methyl-
  • (7α,17α)-17-Hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one
  • 7α-Methyl-17α-ethynyl-17β-hydroxy-5(10)-estren-3-one
  • Org OD 14
  • Livial
  • Liviella
  • 7α-Methyl-δ5,10-norethindrone

Work with Tibolone

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

Norethindrone68-22-446 % similar Lynestrenol52-76-641 % similar Mibolerone3704-09-437 % similar Estr-5(10)-ene-3,17-dione3962-66-135 % similar Danazol17230-88-533 % similar Ethinylestradiol57-63-633 % similar Mestranol72-33-332 % similar Gestrinone16320-04-031 % similar

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

Same formula

Pregna-4,16-diene-3,20-dione1096-38-4 Pregna-4,6-diene-3,20-dione1162-56-7 Dydrogesterone152-62-5 Z-Guggulsterone39025-23-5 Ethisterone434-03-7 Norgestrel6533-00-2 Levonorgestrel797-63-7 Guggulsterone95975-55-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook