PubChemLite - Euphorneroid d (C23H38O3)

Structural Information

Molecular Formula

SMILES

C[C@@]12CC[C@@H](C([C@H]1CC[C@]34[C@H]2C[C@H](CC3)[C@@]5(C4)COC(O5)(C)C)(C)C)O

InChI

InChI=1S/C23H38O3/c1-19(2)16-7-11-22-10-6-15(23(13-22)14-25-20(3,4)26-23)12-17(22)21(16,5)9-8-18(19)24/h15-18,24H,6-14H2,1-5H3/t15-,16+,17-,18-,21+,22+,23+/m0/s1

InChIKey

RYFBQTXHKVUYEX-PQQFAABQSA-N

Compound name

(1'S,4S,4'S,6'S,9'S,10'R,12'S)-2,2,5',5',9'-pentamethylspiro[1,3-dioxolane-4,13'-tetracyclo[10.2.2.01,10.04,9]hexadecane]-6'-ol

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]+	363.28938	181.7
[M+Na]+	385.27132	186.0
[M-H]-	361.27482	182.9
[M+NH4]+	380.31592	207.1
[M+K]+	401.24526	182.1
[M+H-H2O]+	345.27936	171.4
[M+HCOO]-	407.28030	179.6
[M+CH3COO]-	421.29595	188.5
[M+Na-2H]-	383.25677	186.4
[M]+	362.28155	179.1
[M]-	362.28265	179.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

363.28938

181.7

[M+Na]+

385.27132

186.0

[M-H]-

361.27482

182.9

[M+NH4]+

380.31592

207.1

[M+K]+

401.24526

182.1

[M+H-H2O]+

345.27936

171.4

[M+HCOO]-

407.28030

179.6

[M+CH3COO]-

421.29595

188.5

[M+Na-2H]-

383.25677

186.4

[M]+

362.28155

179.1

[M]-

362.28265

179.1

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

Euphorneroid d

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe