PubChemLite - Ganodericacidg (C30H44O8)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-20,25,32-33,36H,8-13H2,1-7H3,(H,37,38)

InChIKey

BPJPBLZKOVIJQD-UHFFFAOYSA-N

Compound name

2-methyl-4-oxo-6-(3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic 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	218.2
[M+Na]+	555.29282	220.8
[M+NH4]+	550.33742	225.8
[M+K]+	571.26676	214.5
[M-H]-	531.29632	214.3
[M+Na-2H]-	553.27827	216.2
[M]+	532.30305	217.4
[M]-	532.30415	217.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.31088

218.2

[M+Na]+

555.29282

220.8

[M+NH4]+

550.33742

225.8

[M+K]+

571.26676

214.5

[M-H]-

531.29632

214.3

[M+Na-2H]-

553.27827

216.2

[M]+

532.30305

217.4

[M]-

532.30415

217.4

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

Ganodericacidg

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe