CID 78384958

10',16',20'-trihydroxy-2',3,7',9',13',17',17'-heptamethylspiro[oxolane-5,5'-pentacyclo[10.8.0.02,9.04,8.013,18]icos-1(12)-ene]-2,3',11'-trione

Structural Information

Molecular Formula
C30H42O7
SMILES
CC1CC2(CC(C(=O)O2)C)C3C1C4(C(C(=O)C5=C(C4(C3=O)C)C(CC6C5(CCC(C6(C)C)O)C)O)O)C
InChI
InChI=1S/C30H42O7/c1-13-11-30(12-14(2)25(36)37-30)21-18(13)28(6)24(35)22(33)20-19(29(28,7)23(21)34)15(31)10-16-26(3,4)17(32)8-9-27(16,20)5/h13-18,21,24,31-32,35H,8-12H2,1-7H3
InChIKey
FLFQDUNKJSXJOT-UHFFFAOYSA-N
Compound name
10',16',20'-trihydroxy-2',3,7',9',13',17',17'-heptamethylspiro[oxolane-5,5'-pentacyclo[10.8.0.02,9.04,8.013,18]icos-1(12)-ene]-2,3',11'-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

514.293 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.30028 212.8
[M+Na]+ 537.28222 217.0
[M+NH4]+ 532.32682 224.8
[M+K]+ 553.25616 210.5
[M-H]- 513.28572 213.4
[M+Na-2H]- 535.26767 211.3
[M]+ 514.29245 213.9
[M]- 514.29355 213.9
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.