PubChemLite - 2'-o,5'-c-diprenylglabridin (C30H36O4)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=CC(=C(C=C1O)OCC=C(C)C)[C@H]2CC3=C(C4=C(C=C3)OC(C=C4)(C)C)OC2)C

InChI

InChI=1S/C30H36O4/c1-19(2)7-8-21-16-25(28(17-26(21)31)32-14-12-20(3)4)23-15-22-9-10-27-24(29(22)33-18-23)11-13-30(5,6)34-27/h7,9-13,16-17,23,31H,8,14-15,18H2,1-6H3/t23-/m0/s1

InChIKey

FKEPWQCFKRVUGG-QHCPKHFHSA-N

Compound name

4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenol

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]+	461.26863	219.4
[M+Na]+	483.25057	224.5
[M-H]-	459.25407	226.4
[M+NH4]+	478.29517	228.6
[M+K]+	499.22451	220.9
[M+H-H2O]+	443.25861	209.7
[M+HCOO]-	505.25955	228.6
[M+CH3COO]-	519.27520	238.4
[M+Na-2H]-	481.23602	217.3
[M]+	460.26080	221.7
[M]-	460.26190	221.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.26863

219.4

[M+Na]+

483.25057

224.5

[M-H]-

459.25407

226.4

[M+NH4]+

478.29517

228.6

[M+K]+

499.22451

220.9

[M+H-H2O]+

443.25861

209.7

[M+HCOO]-

505.25955

228.6

[M+CH3COO]-

519.27520

238.4

[M+Na-2H]-

481.23602

217.3

[M]+

460.26080

221.7

[M]-

460.26190

221.7

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

2'-o,5'-c-diprenylglabridin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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