PubChemLite - Euchretin a (C30H30O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)OC4=C5C=CC(OC5=C(C=C34)O)(C)C)CC=C(C)C)O)C

InChI

InChI=1S/C30H30O7/c1-14(2)7-9-16-23(32)17(10-8-15(3)4)28-22(24(16)33)25(34)21-19-13-20(31)27-18(11-12-30(5,6)37-27)26(19)35-29(21)36-28/h7-8,11-13,31-33H,9-10H2,1-6H3

InChIKey

PVEAILZIDDKAJE-UHFFFAOYSA-N

Compound name

5,7,20-trihydroxy-17,17-dimethyl-6,8-bis(3-methylbut-2-enyl)-10,12,18-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),4,6,8,13,15,19-octaen-3-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]+	503.20644	227.0
[M+Na]+	525.18838	238.6
[M-H]-	501.19188	234.1
[M+NH4]+	520.23298	236.6
[M+K]+	541.16232	236.1
[M+H-H2O]+	485.19642	219.9
[M+HCOO]-	547.19736	236.5
[M+CH3COO]-	561.21301	245.3
[M+Na-2H]-	523.17383	226.6
[M]+	502.19861	238.2
[M]-	502.19971	238.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.20644

227.0

[M+Na]+

525.18838

238.6

[M-H]-

501.19188

234.1

[M+NH4]+

520.23298

236.6

[M+K]+

541.16232

236.1

[M+H-H2O]+

485.19642

219.9

[M+HCOO]-

547.19736

236.5

[M+CH3COO]-

561.21301

245.3

[M+Na-2H]-

523.17383

226.6

[M]+

502.19861

238.2

[M]-

502.19971

238.2

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

Euchretin a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe