CID 13969079

Ganoderic acid me

Structural Information

Molecular Formula
C34H50O6
SMILES
CC(CC/C=C(\C)/C(=O)O)C1CC(C2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)OC(=O)C
InChI
InChI=1S/C34H50O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12-13,15,20,26-29H,10-11,14,16-19H2,1-9H3,(H,37,38)/b21-12+
InChIKey
OTUZGGSAOMCYNC-CIAFOILYSA-N
Compound name
(E)-6-(3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

554.3607 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.36798 232.2
[M+Na]+ 577.34992 234.8
[M-H]- 553.35342 233.5
[M+NH4]+ 572.39452 248.6
[M+K]+ 593.32386 231.4
[M+H-H2O]+ 537.35796 228.5
[M+HCOO]- 599.35890 233.9
[M+CH3COO]- 613.37455 255.2
[M+Na-2H]- 575.33537 225.6
[M]+ 554.36015 233.9
[M]- 554.36125 233.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.