PubChemLite - Tripterifordin (C20H30O3)

Structural Information

Molecular Formula

SMILES

C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@H]3CC[C@H](C4)[C@](C5)(C)O)COC2=O

InChI

InChI=1S/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15-,17-,18-,19+,20+/m1/s1

InChIKey

KLMZPLYXGZZBCX-CJSYXLNHSA-N

Compound name

(1R,2R,5R,6R,8S,11S,12R)-6-hydroxy-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadecan-13-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]+	319.22676	176.1
[M+Na]+	341.20870	181.0
[M-H]-	317.21220	179.6
[M+NH4]+	336.25330	201.1
[M+K]+	357.18264	176.3
[M+H-H2O]+	301.21674	168.0
[M+HCOO]-	363.21768	180.6
[M+CH3COO]-	377.23333	184.4
[M+Na-2H]-	339.19415	179.4
[M]+	318.21893	169.1
[M]-	318.22003	169.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

319.22676

176.1

[M+Na]+

341.20870

181.0

[M-H]-

317.21220

179.6

[M+NH4]+

336.25330

201.1

[M+K]+

357.18264

176.3

[M+H-H2O]+

301.21674

168.0

[M+HCOO]-

363.21768

180.6

[M+CH3COO]-

377.23333

184.4

[M+Na-2H]-

339.19415

179.4

[M]+

318.21893

169.1

[M]-

318.22003

169.1

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

Tripterifordin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe