PubChemLite - 67372-68-3 (C23H30O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C

InChI

InChI=1S/C23H30O3/c1-21-8-5-14(24)11-13(21)3-4-15-17(21)6-9-22(2)20(15)16-12-18(16)23(22)10-7-19(25)26-23/h11,15-18,20H,3-10,12H2,1-2H3/t15-,16-,17+,18+,20-,21+,22+,23+/m1/s1

InChIKey

DYIJDDWIJGVQBE-PJPXKQQPSA-N

Compound name

(1'R,2'R,3'S,5S,5'S,7'S,10'S,11'R)-7',11'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione

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]+	355.22676	187.4
[M+Na]+	377.20870	196.0
[M-H]-	353.21220	195.5
[M+NH4]+	372.25330	207.0
[M+K]+	393.18264	191.0
[M+H-H2O]+	337.21674	182.0
[M+HCOO]-	399.21768	193.3
[M+CH3COO]-	413.23333	196.3
[M+Na-2H]-	375.19415	186.4
[M]+	354.21893	185.4
[M]-	354.22003	185.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

355.22676

187.4

[M+Na]+

377.20870

196.0

[M-H]-

353.21220

195.5

[M+NH4]+

372.25330

207.0

[M+K]+

393.18264

191.0

[M+H-H2O]+

337.21674

182.0

[M+HCOO]-

399.21768

193.3

[M+CH3COO]-

413.23333

196.3

[M+Na-2H]-

375.19415

186.4

[M]+

354.21893

185.4

[M]-

354.22003

185.4

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

67372-68-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe