PubChemLite - Dromostanolone enanthate (C27H44O3)

Structural Information

Molecular Formula

SMILES

CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C

InChI

InChI=1S/C27H44O3/c1-5-6-7-8-9-25(29)30-24-13-12-21-20-11-10-19-16-23(28)18(2)17-27(19,4)22(20)14-15-26(21,24)3/h18-22,24H,5-17H2,1-4H3/t18-,19+,20+,21+,22+,24+,26+,27+/m1/s1

InChIKey

ZNYZYASFVYLKPE-PCWAKFEDSA-N

Compound name

[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] heptanoate

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]+	417.33632	208.8
[M+Na]+	439.31826	210.7
[M-H]-	415.32176	211.4
[M+NH4]+	434.36286	227.7
[M+K]+	455.29220	204.8
[M+H-H2O]+	399.32630	201.9
[M+HCOO]-	461.32724	214.8
[M+CH3COO]-	475.34289	230.6
[M+Na-2H]-	437.30371	203.5
[M]+	416.32849	204.5
[M]-	416.32959	204.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.33632

208.8

[M+Na]+

439.31826

210.7

[M-H]-

415.32176

211.4

[M+NH4]+

434.36286

227.7

[M+K]+

455.29220

204.8

[M+H-H2O]+

399.32630

201.9

[M+HCOO]-

461.32724

214.8

[M+CH3COO]-

475.34289

230.6

[M+Na-2H]-

437.30371

203.5

[M]+

416.32849

204.5

[M]-

416.32959

204.5

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

Dromostanolone enanthate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe