PubChemLite - Ganoderic acid mk (C34H50O7)

Structural Information

Molecular Formula

SMILES

CC(C1CC(C2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)O)C(C/C=C(\C)/C(=O)O)OC(=O)C

InChI

InChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(40-21(3)35)20(2)25-18-28(37)34(9)24-11-13-27-31(5,6)29(41-22(4)36)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+

InChIKey

BCZACVDBVIYNMZ-VXLYETTFSA-N

Compound name

(E)-5-acetyloxy-6-(3-acetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic 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]+	571.36293	234.3
[M+Na]+	593.34487	235.9
[M-H]-	569.34837	234.1
[M+NH4]+	588.38947	249.1
[M+K]+	609.31881	233.7
[M+H-H2O]+	553.35291	231.8
[M+HCOO]-	615.35385	233.6
[M+CH3COO]-	629.36950	256.4
[M+Na-2H]-	591.33032	227.1
[M]+	570.35510	235.3
[M]-	570.35620	235.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.36293

234.3

[M+Na]+

593.34487

235.9

[M-H]-

569.34837

234.1

[M+NH4]+

588.38947

249.1

[M+K]+

609.31881

233.7

[M+H-H2O]+

553.35291

231.8

[M+HCOO]-

615.35385

233.6

[M+CH3COO]-

629.36950

256.4

[M+Na-2H]-

591.33032

227.1

[M]+

570.35510

235.3

[M]-

570.35620

235.3

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

Ganoderic acid mk

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe