CID 131751953

(+)-ganoderic acid eta

Structural Information

Molecular Formula
C30H44O8
SMILES
CC(CC(/C=C(\C)/C(=O)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/h11,14,16-20,25,31-33,36H,8-10,12-13H2,1-7H3,(H,37,38)/b15-11+
InChIKey
SFQSUCWHIWDMMD-RVDMUPIBSA-N
Compound name
(E)-4-hydroxy-2-methyl-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)hept-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

532.3036 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.31088 218.4
[M+Na]+ 555.29282 220.5
[M+NH4]+ 550.33742 225.6
[M+K]+ 571.26676 214.4
[M-H]- 531.29632 214.0
[M+Na-2H]- 553.27827 215.8
[M]+ 532.30305 217.2
[M]- 532.30415 217.2
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.