PubChemLite - 6',7'-dihydro-6'-hydroxyrotenone (C23H24O7)

Structural Information

Molecular Formula

SMILES

CC(C)(C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)O

InChI

InChI=1S/C23H24O7/c1-23(2,25)19-8-13-14(29-19)6-5-11-21(24)20-12-7-16(26-3)17(27-4)9-15(12)28-10-18(20)30-22(11)13/h5-7,9,18-20,25H,8,10H2,1-4H3

InChIKey

UJRXJHPYROZVGI-UHFFFAOYSA-N

Compound name

6-(2-hydroxypropan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-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]+	413.15948	194.8
[M+Na]+	435.14142	202.7
[M-H]-	411.14492	202.5
[M+NH4]+	430.18602	206.7
[M+K]+	451.11536	202.9
[M+H-H2O]+	395.14946	188.7
[M+HCOO]-	457.15040	203.4
[M+CH3COO]-	471.16605	204.4
[M+Na-2H]-	433.12687	199.2
[M]+	412.15165	201.0
[M]-	412.15275	201.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.15948

194.8

[M+Na]+

435.14142

202.7

[M-H]-

411.14492

202.5

[M+NH4]+

430.18602

206.7

[M+K]+

451.11536

202.9

[M+H-H2O]+

395.14946

188.7

[M+HCOO]-

457.15040

203.4

[M+CH3COO]-

471.16605

204.4

[M+Na-2H]-

433.12687

199.2

[M]+

412.15165

201.0

[M]-

412.15275

201.0

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

6',7'-dihydro-6'-hydroxyrotenone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe