PubChemLite - Boldenone undecylenate (C30H44O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C)CCC4=CC(=O)C=C[C@]34C

InChI

InChI=1S/C30H44O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h4,17,19,21,24-27H,1,5-16,18,20H2,2-3H3/t24-,25-,26-,27-,29-,30-/m0/s1

InChIKey

AHMMSNQYOPMLSX-CNQKSJKFSA-N

Compound name

[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undec-10-enoate

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]+	453.33632	219.5
[M+Na]+	475.31826	227.2
[M+NH4]+	470.36286	229.6
[M+K]+	491.29220	215.7
[M-H]-	451.32176	221.1
[M+Na-2H]-	473.30371	219.8
[M]+	452.32849	221.1
[M]-	452.32959	221.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.33632

219.5

[M+Na]+

475.31826

227.2

[M+NH4]+

470.36286

229.6

[M+K]+

491.29220

215.7

[M-H]-

451.32176

221.1

[M+Na-2H]-

473.30371

219.8

[M]+

452.32849

221.1

[M]-

452.32959

221.1

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

Boldenone undecylenate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe