Lucidenic acid c [m+h]+ (C27H40O7)

Structural Information

Molecular Formula

SMILES

CC(CCC(=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/C27H40O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-17,23,28-29,34H,7-12H2,1-6H3,(H,31,32)

InChIKey

XIMQDJNNBMWDIH-UHFFFAOYSA-N

Compound name

4-(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)pentanoic 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]+	477.284676	208.6
[M+Na]+	499.266618	215.0
[M-H]-	475.270124	207.9
[M+NH4]+	494.311223	227.1
[M+K]+	515.240558	210.6
[M+H-H2O]+	459.274660	207.0
[M+HCOO]-	521.275601	209.5
[M+CH3COO]-	535.291251	236.8
[M+Na-2H]-	497.252066	205.8
[M]+	476.27685142	207.5
[M]-	476.27794858	207.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.284676

208.6

[M+Na]+

499.266618

215.0

[M-H]-

475.270124

207.9

[M+NH4]+

494.311223

227.1

[M+K]+

515.240558

210.6

[M+H-H2O]+

459.274660

207.0

[M+HCOO]-

521.275601

209.5

[M+CH3COO]-

535.291251

236.8

[M+Na-2H]-

497.252066

205.8

[M]+

476.27685142

207.5

[M]-

476.27794858

207.5

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

Lucidenic acid c [m+h]+

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe