PubChemLite - 128-59-6 (C34H16O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C3=CC(=C4C5=C(C=CC(=C35)C2=O)C6=C7C4=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)O)O

InChI

InChI=1S/C34H16O4/c35-25-13-23-15-5-1-3-7-19(15)33(37)21-11-9-17-18-10-12-22-28-24(16-6-2-4-8-20(16)34(22)38)14-26(36)32(30(18)28)31(25)29(17)27(21)23/h1-14,35-36H

InChIKey

MGYICCKROPVHMA-UHFFFAOYSA-N

Compound name

30,34-dihydroxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione

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]+	489.11214	219.6
[M+Na]+	511.09408	242.2
[M+NH4]+	506.13868	231.2
[M+K]+	527.06802	228.4
[M-H]-	487.09758	227.0
[M+Na-2H]-	509.07953	223.0
[M]+	488.10431	225.8
[M]-	488.10541	225.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.11214

219.6

[M+Na]+

511.09408

242.2

[M+NH4]+

506.13868

231.2

[M+K]+

527.06802

228.4

[M-H]-

487.09758

227.0

[M+Na-2H]-

509.07953

223.0

[M]+

488.10431

225.8

[M]-

488.10541

225.8

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

128-59-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe