CID 131751851

Lucidenic acid j

Structural Information

Molecular Formula
C27H38O8
SMILES
CC(CCC(=O)O)C1CC(=O)C2(C1(C(C(=O)C3=C2C(=O)CC4C3(CCC(C4(C)CO)O)C)O)C)C
InChI
InChI=1S/C27H38O8/c1-13(6-7-19(32)33)14-10-18(31)27(5)20-15(29)11-16-24(2,9-8-17(30)25(16,3)12-28)21(20)22(34)23(35)26(14,27)4/h13-14,16-17,23,28,30,35H,6-12H2,1-5H3,(H,32,33)
InChIKey
HAVMVUFJSIMVDG-UHFFFAOYSA-N
Compound name
4-[3,12-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

490.25668 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.26396 209.1
[M+Na]+ 513.24590 213.1
[M+NH4]+ 508.29050 217.5
[M+K]+ 529.21984 205.6
[M-H]- 489.24940 205.7
[M+Na-2H]- 511.23135 208.1
[M]+ 490.25613 208.6
[M]- 490.25723 208.6
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.