PubChemLite - Kuraridinol (C26H32O7)

Structural Information

Molecular Formula

SMILES

CC(=C)C(CCC(C)(C)O)CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O

InChI

InChI=1S/C26H32O7/c1-15(2)17(10-11-26(3,4)32)12-19-22(30)14-23(33-5)24(25(19)31)20(28)9-7-16-6-8-18(27)13-21(16)29/h6-9,13-14,17,27,29-32H,1,10-12H2,2-5H3/b9-7+

InChIKey

YXLKVASXUULQJH-VQHVLOKHSA-N

Compound name

(E)-1-[2,4-dihydroxy-3-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-6-methoxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-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]+	457.22208	209.2
[M+Na]+	479.20402	212.8
[M-H]-	455.20752	209.0
[M+NH4]+	474.24862	214.6
[M+K]+	495.17796	208.6
[M+H-H2O]+	439.21206	202.0
[M+HCOO]-	501.21300	219.0
[M+CH3COO]-	515.22865	229.2
[M+Na-2H]-	477.18947	202.9
[M]+	456.21425	211.2
[M]-	456.21535	211.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.22208

209.2

[M+Na]+

479.20402

212.8

[M-H]-

455.20752

209.0

[M+NH4]+

474.24862

214.6

[M+K]+

495.17796

208.6

[M+H-H2O]+

439.21206

202.0

[M+HCOO]-

501.21300

219.0

[M+CH3COO]-

515.22865

229.2

[M+Na-2H]-

477.18947

202.9

[M]+

456.21425

211.2

[M]-

456.21535

211.2

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

Kuraridinol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe