PubChemLite - Methyl pseudolarate b (C24H30O8)

Structural Information

Molecular Formula

SMILES

C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)/C(=O)OC

InChI

InChI=1S/C24H30O8/c1-15(19(26)29-4)7-6-11-22(3)18-10-13-23(21(28)32-22)12-8-17(20(27)30-5)9-14-24(18,23)31-16(2)25/h6-8,11,18H,9-10,12-14H2,1-5H3/b11-6+,15-7+/t18-,22+,23+,24-/m0/s1

InChIKey

DXNRJQIZAXOHQJ-KYNXZXPVSA-N

Compound name

methyl (1R,7S,8S,9R)-7-acetyloxy-9-[(1E,3E)-5-methoxy-4-methyl-5-oxopenta-1,3-dienyl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylate

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]+	447.20134	196.6
[M+Na]+	469.18328	199.7
[M-H]-	445.18678	202.2
[M+NH4]+	464.22788	212.1
[M+K]+	485.15722	201.7
[M+H-H2O]+	429.19132	193.1
[M+HCOO]-	491.19226	207.2
[M+CH3COO]-	505.20791	228.1
[M+Na-2H]-	467.16873	195.7
[M]+	446.19351	198.3
[M]-	446.19461	198.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.20134

196.6

[M+Na]+

469.18328

199.7

[M-H]-

445.18678

202.2

[M+NH4]+

464.22788

212.1

[M+K]+

485.15722

201.7

[M+H-H2O]+

429.19132

193.1

[M+HCOO]-

491.19226

207.2

[M+CH3COO]-

505.20791

228.1

[M+Na-2H]-

467.16873

195.7

[M]+

446.19351

198.3

[M]-

446.19461

198.3

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

Methyl pseudolarate b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe