PubChemLite - Albanol b (C34H22O8)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C3C(=C1)C4=C(C=C(C=C4OC3(OC5=C2C=CC(=C5)O)C6=C(C=C(C=C6)O)O)C7=CC8=C(O7)C=C(C=C8)O)O

InChI

InChI=1S/C34H22O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-15,35-39H,1H3

InChIKey

SMHBZVSVLIBGGO-UHFFFAOYSA-N

Compound name

1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol

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]+	559.13878	236.0
[M+Na]+	581.12072	255.3
[M+NH4]+	576.16532	244.7
[M+K]+	597.09466	246.8
[M-H]-	557.12422	247.0
[M+Na-2H]-	579.10617	239.4
[M]+	558.13095	242.6
[M]-	558.13205	242.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

559.13878

236.0

[M+Na]+

581.12072

255.3

[M+NH4]+

576.16532

244.7

[M+K]+

597.09466

246.8

[M-H]-

557.12422

247.0

[M+Na-2H]-

579.10617

239.4

[M]+

558.13095

242.6

[M]-

558.13205

242.6

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

Albanol b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe