PubChemLite - Petalostemumol g (C30H34O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=CC(=C(C(=C1C2=C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)CC=C(C)C)O)O)C

InChI

InChI=1S/C30H34O7/c1-15(2)7-10-18-13-23(33)26(34)20(12-9-17(5)6)24(18)30-28(36)27(35)25-22(32)14-21(31)19(29(25)37-30)11-8-16(3)4/h7-9,13-14,31-34,36H,10-12H2,1-6H3

InChIKey

JJYTVPNJUZEOPO-UHFFFAOYSA-N

Compound name

2-[3,4-dihydroxy-2,6-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-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]+	507.23772	226.1
[M+Na]+	529.21966	232.6
[M-H]-	505.22316	228.4
[M+NH4]+	524.26426	229.9
[M+K]+	545.19360	227.8
[M+H-H2O]+	489.22770	218.0
[M+HCOO]-	551.22864	234.6
[M+CH3COO]-	565.24429	243.4
[M+Na-2H]-	527.20511	217.5
[M]+	506.22989	230.2
[M]-	506.23099	230.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.23772

226.1

[M+Na]+

529.21966

232.6

[M-H]-

505.22316

228.4

[M+NH4]+

524.26426

229.9

[M+K]+

545.19360

227.8

[M+H-H2O]+

489.22770

218.0

[M+HCOO]-

551.22864

234.6

[M+CH3COO]-

565.24429

243.4

[M+Na-2H]-

527.20511

217.5

[M]+

506.22989

230.2

[M]-

506.23099

230.2

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

Petalostemumol g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe