PubChemLite - Zizyberanalic acid (C30H46O4)

Structural Information

Molecular Formula

SMILES

CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C=O)C)C)C(=O)O

InChI

InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)

InChIKey

SLWJVQQNDGLXTK-UHFFFAOYSA-N

Compound name

15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid

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]+	471.34688	213.9
[M+Na]+	493.32882	217.3
[M+NH4]+	488.37342	226.9
[M+K]+	509.30276	206.9
[M-H]-	469.33232	213.1
[M+Na-2H]-	491.31427	213.6
[M]+	470.33905	214.5
[M]-	470.34015	214.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.34688

213.9

[M+Na]+

493.32882

217.3

[M+NH4]+

488.37342

226.9

[M+K]+

509.30276

206.9

[M-H]-

469.33232

213.1

[M+Na-2H]-

491.31427

213.6

[M]+

470.33905

214.5

[M]-

470.34015

214.5

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

Zizyberanalic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe