PubChemLite - Desoxoglabrolide (C30H46O3)

Structural Information

Molecular Formula

SMILES

CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC6(CC5OC6=O)C)C)C)C)C

InChI

InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3

InChIKey

HHQJBWYXBWOFJY-UHFFFAOYSA-N

Compound name

11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-22-one

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]+	455.35198	214.4
[M+Na]+	477.33392	221.6
[M+NH4]+	472.37852	231.4
[M+K]+	493.30786	205.4
[M-H]-	453.33742	217.5
[M+Na-2H]-	475.31937	215.8
[M]+	454.34415	217.3
[M]-	454.34525	217.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.35198

214.4

[M+Na]+

477.33392

221.6

[M+NH4]+

472.37852

231.4

[M+K]+

493.30786

205.4

[M-H]-

453.33742

217.5

[M+Na-2H]-

475.31937

215.8

[M]+

454.34415

217.3

[M]-

454.34525

217.3

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

Desoxoglabrolide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe