PubChemLite - Ganodericacidi (C30H44O8)

Structural Information

Molecular Formula

SMILES

CC(CC(=O)CC(C)(C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C)O)C(=O)O

InChI

InChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-21,32,34,38H,8-14H2,1-7H3,(H,36,37)

InChIKey

ZWMMEKXOLCCKLA-UHFFFAOYSA-N

Compound name

6-(3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-4-oxoheptanoic 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]+	533.31088	220.6
[M+Na]+	555.29282	224.6
[M-H]-	531.29632	218.8
[M+NH4]+	550.33742	236.2
[M+K]+	571.26676	221.9
[M+H-H2O]+	515.30086	220.2
[M+HCOO]-	577.30180	218.2
[M+CH3COO]-	591.31745	246.9
[M+Na-2H]-	553.27827	218.8
[M]+	532.30305	220.0
[M]-	532.30415	220.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.31088

220.6

[M+Na]+

555.29282

224.6

[M-H]-

531.29632

218.8

[M+NH4]+

550.33742

236.2

[M+K]+

571.26676

221.9

[M+H-H2O]+

515.30086

220.2

[M+HCOO]-

577.30180

218.2

[M+CH3COO]-

591.31745

246.9

[M+Na-2H]-

553.27827

218.8

[M]+

532.30305

220.0

[M]-

532.30415

220.0

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

Ganodericacidi

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe