PubChemLite - Myricatomentoside i (C26H32O10)

Structural Information

Molecular Formula

SMILES

COC1=C2C=CC(=C1OC3C(C(C(C(O3)CO)O)O)O)CCCCC(=O)CCC4=CC(=C(C=C4)O)O2

InChI

InChI=1S/C26H32O10/c1-33-25-18-11-8-15(24(25)36-26-23(32)22(31)21(30)20(13-27)35-26)4-2-3-5-16(28)9-6-14-7-10-17(29)19(12-14)34-18/h7-8,10-12,20-23,26-27,29-32H,2-6,9,13H2,1H3

InChIKey

RALVCBWUWHJOGL-UHFFFAOYSA-N

Compound name

4-hydroxy-17-methoxy-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-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]+	505.20683	222.3
[M+Na]+	527.18877	219.2
[M-H]-	503.19227	206.1
[M+NH4]+	522.23337	225.2
[M+K]+	543.16271	222.9
[M+H-H2O]+	487.19681	222.1
[M+HCOO]-	549.19775	212.0
[M+CH3COO]-	563.21340	220.5
[M+Na-2H]-	525.17422	226.4
[M]+	504.19900	224.2
[M]-	504.20010	224.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.20683

222.3

[M+Na]+

527.18877

219.2

[M-H]-

503.19227

206.1

[M+NH4]+

522.23337

225.2

[M+K]+

543.16271

222.9

[M+H-H2O]+

487.19681

222.1

[M+HCOO]-

549.19775

212.0

[M+CH3COO]-

563.21340

220.5

[M+Na-2H]-

525.17422

226.4

[M]+

504.19900

224.2

[M]-

504.20010

224.2

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

Myricatomentoside i

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe