PubChemLite - 5',5'-diprenylglabridin (C30H36O4)

Structural Information

Molecular Formula

SMILES

CC(=CCC1(C=C(C(=CC1=O)O)[C@H]2CC3=C(C4=C(C=C3)OC(C=C4)(C)C)OC2)CC=C(C)C)C

InChI

InChI=1S/C30H36O4/c1-19(2)9-13-30(14-10-20(3)4)17-24(25(31)16-27(30)32)22-15-21-7-8-26-23(28(21)33-18-22)11-12-29(5,6)34-26/h7-12,16-17,22,31H,13-15,18H2,1-6H3/t22-/m0/s1

InChIKey

OHHIECRFULAMQQ-QFIPXVFZSA-N

Compound name

4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-3-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-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]+	461.26863	216.3
[M+Na]+	483.25057	221.9
[M-H]-	459.25407	223.3
[M+NH4]+	478.29517	227.5
[M+K]+	499.22451	218.3
[M+H-H2O]+	443.25861	207.2
[M+HCOO]-	505.25955	224.3
[M+CH3COO]-	519.27520	237.8
[M+Na-2H]-	481.23602	214.8
[M]+	460.26080	217.1
[M]-	460.26190	217.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.26863

216.3

[M+Na]+

483.25057

221.9

[M-H]-

459.25407

223.3

[M+NH4]+

478.29517

227.5

[M+K]+

499.22451

218.3

[M+H-H2O]+

443.25861

207.2

[M+HCOO]-

505.25955

224.3

[M+CH3COO]-

519.27520

237.8

[M+Na-2H]-

481.23602

214.8

[M]+

460.26080

217.1

[M]-

460.26190

217.1

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

5',5'-diprenylglabridin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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