CID 14109405

Ganodericacidd

Structural Information

Molecular Formula
C30H42O7
SMILES
CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C
InChI
InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)
InChIKey
YTVGSCZIHGRVAV-UHFFFAOYSA-N
Compound name
6-(7-hydroxy-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-oxoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

102
Patents

514.293 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.300276 214.4
[M+Na]+ 537.282218 219.2
[M-H]- 513.285724 215.2
[M+NH4]+ 532.326823 231.9
[M+K]+ 553.256158 215.8
[M+H-H2O]+ 497.290260 212.5
[M+HCOO]- 559.291201 215.6
[M+CH3COO]- 573.306851 248.1
[M+Na-2H]- 535.267666 209.6
[M]+ 514.29245142 214.4
[M]- 514.29354858 214.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.