CAS 1255-49-8|(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl 3-phenylpropanoate|(1S,2R,10R,11S,14S,15S)-2,15-dimeth...

General Information

Structure

Molecular Formula

C₂₈H₃₆O₃

Molecular Mass

420.58364

Exact Mass

420.26644501

Charge

InChI

InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1

InChIKey

HHSXYDOROIURIP-FEZCWRLCSA-N

Canonic Smiles

O=C(O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)CCc1ccccc1

Isomeric Smiles

[C@@]12(C(=CC(=O)CC2)CC[C@@H]2[C@@H]1CC[C@]1([C@H]2CC[C@@H]1OC(=O)CCc1ccccc1)C)C

Calculated Properties

JChem

Acid pKa

19.086855

H Acceptors

H Donor

LogD (pH = 5.5)

6.0854573

LogD (pH = 7.4)

6.0854573

Log P

6.0854573

Molar Refractivity

122.9042

Polarizability

48.533092

Polar Surface Area

43.37

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl 3-phenylpropanoate睾酮-17-苯基丙酸酯睾酮氢化肉桂酸酯Testosterone 17-phenylpropionate4-雄甾烯-17β-醇-3-酮-17-苯基丙酸酯

IUPAC name

(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl 3-phenylpropanoate

IUPAC Traditional name

retandrol

Names and Identifiers

Registration numbers

PubChem SID

24900612162102825

CAS Number

1255-49-8

MDL Number

MFCD00056484