PubChemLite - Nandrolone laurate (C30H48O3)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C

InChI

InChI=1S/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3/t24-,25+,26+,27-,28-,30-/m0/s1

InChIKey

OXXNTXVXBWLYQE-PVHICTMWSA-N

Compound name

[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] dodecanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	457.36763	222.1
[M+Na]+	479.34957	221.5
[M-H]-	455.35307	223.7
[M+NH4]+	474.39417	236.9
[M+K]+	495.32351	214.7
[M+H-H2O]+	439.35761	213.7
[M+HCOO]-	501.35855	228.5
[M+CH3COO]-	515.37420	238.0
[M+Na-2H]-	477.33502	215.4
[M]+	456.35980	219.3
[M]-	456.36090	219.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.36763

222.1

[M+Na]+

479.34957

221.5

[M-H]-

455.35307

223.7

[M+NH4]+

474.39417

236.9

[M+K]+

495.32351

214.7

[M+H-H2O]+

439.35761

213.7

[M+HCOO]-

501.35855

228.5

[M+CH3COO]-

515.37420

238.0

[M+Na-2H]-

477.33502

215.4

[M]+

456.35980

219.3

[M]-

456.36090

219.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Nandrolone laurate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe