PubChemLite - Artelastochromene (C30H30O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C(OC5=C4C=CC(=C5)O)C=C(C)C)O)C=CC(O2)(C)C)C

InChI

InChI=1S/C30H30O6/c1-15(2)7-9-20-27-19(11-12-30(5,6)36-27)25(32)24-26(33)23-22(13-16(3)4)34-21-14-17(31)8-10-18(21)28(23)35-29(20)24/h7-8,10-14,22,31-32H,9H2,1-6H3

InChIKey

NECAWZYXMSKYRB-UHFFFAOYSA-N

Compound name

7,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,7,15,17,21-octaen-13-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]+	487.21150	223.0
[M+Na]+	509.19344	232.0
[M-H]-	485.19694	229.4
[M+NH4]+	504.23804	231.5
[M+K]+	525.16738	229.7
[M+H-H2O]+	469.20148	213.1
[M+HCOO]-	531.20242	228.9
[M+CH3COO]-	545.21807	230.2
[M+Na-2H]-	507.17889	223.4
[M]+	486.20367	228.8
[M]-	486.20477	228.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.21150

223.0

[M+Na]+

509.19344

232.0

[M-H]-

485.19694

229.4

[M+NH4]+

504.23804

231.5

[M+K]+

525.16738

229.7

[M+H-H2O]+

469.20148

213.1

[M+HCOO]-

531.20242

228.9

[M+CH3COO]-

545.21807

230.2

[M+Na-2H]-

507.17889

223.4

[M]+

486.20367

228.8

[M]-

486.20477

228.8

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

Artelastochromene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe