chempirical

Methandriol dipropionate

C26H40O4CAS 3593-85-9416.60 g/mol

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AlkeneEster

Properties

Molecular formula
C26H40O4
Molar mass
416.60 g/mol
Exact mass
416.2927 Da
logP
5.98Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4
Stereocentres
S, R, R, S, S, S, Sin SMILES atom order

Identifiers

CAS number
3593-85-9
SMILES
CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)OC(=O)CC)C1
InChIKey
YUKFLTKJFMBYJM-QNSWYLPSSA-N
InChI
InChI=1S/C26H40O4/c1-6-22(27)29-18-10-13-24(3)17(16-18)8-9-19-20(24)11-14-25(4)21(19)12-15-26(25,5)30-23(28)7-2/h8,18-21H,6-7,9-16H2,1-5H3/t18-,19+,20-,21-,24-,25-,26-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • Androst-5-ene-3,17-diol, 17-methyl-, 3,17-dipropanoate, (3β,17β)-
  • Androst-5-ene-3β,17β-diol, 17-methyl-, dipropionate
  • Androst-5-ene-3,17-diol, 17-methyl-, dipropanoate, (3β,17β)-
  • Probolin
  • NSC 26644

Work with Methandriol dipropionate

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

Cholesteryl propionate633-31-859 % similar (3β,16α)-3-(Acetyloxy)-16,17-epoxypregn-5-en-20-one34209-81-950 % similar 3β-Acetoxyandrost-5-en-17-one853-23-650 % similar Cholesteryl butyrate521-13-149 % similar (3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate114611-53-949 % similar Cholesteryl valerate7726-03-648 % similar Pregnenolone acetate1778-02-548 % similar 16-Dehydropregnenolone acetate979-02-248 % similar

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

Elsewhere

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