PubChemLite - Ganoderenic acid e (C30H40O8)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H40O8/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/h10,15,17-19,25,32,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+

InChIKey

UFIFFDILGAASQL-GXDHUFHOSA-N

Compound name

(E)-6-(7,12-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-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]+	529.27962	214.4
[M+Na]+	551.26156	219.7
[M-H]-	527.26506	214.2
[M+NH4]+	546.30616	230.8
[M+K]+	567.23550	216.3
[M+H-H2O]+	511.26960	213.6
[M+HCOO]-	573.27054	214.4
[M+CH3COO]-	587.28619	249.0
[M+Na-2H]-	549.24701	209.7
[M]+	528.27179	214.1
[M]-	528.27289	214.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

529.27962

214.4

[M+Na]+

551.26156

219.7

[M-H]-

527.26506

214.2

[M+NH4]+

546.30616

230.8

[M+K]+

567.23550

216.3

[M+H-H2O]+

511.26960

213.6

[M+HCOO]-

573.27054

214.4

[M+CH3COO]-

587.28619

249.0

[M+Na-2H]-

549.24701

209.7

[M]+

528.27179

214.1

[M]-

528.27289

214.1

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

Ganoderenic acid e

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe