PubChemLite - Lappaol c (C30H34O10)

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC(=C1O)C(CO)C(C2=CC(=C(C=C2)O)OC)O)CC3COC(=O)C3CC4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C30H34O10/c1-37-25-11-16(4-6-23(25)32)9-20-19(15-40-30(20)36)8-17-10-21(29(35)27(12-17)39-3)22(14-31)28(34)18-5-7-24(33)26(13-18)38-2/h4-7,10-13,19-20,22,28,31-35H,8-9,14-15H2,1-3H3

InChIKey

BWOAMGHNXHLWMX-UHFFFAOYSA-N

Compound name

4-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-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]+	555.22248	234.4
[M+Na]+	577.20442	244.0
[M+NH4]+	572.24902	235.9
[M+K]+	593.17836	243.2
[M-H]-	553.20792	238.2
[M+Na-2H]-	575.18987	235.7
[M]+	554.21465	236.4
[M]-	554.21575	236.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

555.22248

234.4

[M+Na]+

577.20442

244.0

[M+NH4]+

572.24902

235.9

[M+K]+

593.17836

243.2

[M-H]-

553.20792

238.2

[M+Na-2H]-

575.18987

235.7

[M]+

554.21465

236.4

[M]-

554.21575

236.4

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

Lappaol c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe