CID 131751900

Mangiferoleanone

Structural Information

Molecular Formula
C30H48O
SMILES
CC1(CCC2(CCC3(C(=C2C1)CC(=O)C4C3(CCC5C4(CCCC5(C)C)C)C)C)C)C
InChI
InChI=1S/C30H48O/c1-25(2)14-15-27(5)16-17-29(7)20(21(27)19-25)18-22(31)24-28(6)12-9-11-26(3,4)23(28)10-13-30(24,29)8/h23-24H,9-19H2,1-8H3
InChIKey
MQILTVJSXIHHGW-UHFFFAOYSA-N
Compound name
2,2,4a,6a,6b,9,9,12a-octamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14-dodecahydro-1H-picen-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.3705 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.37778 203.3
[M+Na]+ 447.35972 209.5
[M-H]- 423.36322 207.1
[M+NH4]+ 442.40432 228.3
[M+K]+ 463.33366 202.6
[M+H-H2O]+ 407.36776 191.3
[M+HCOO]- 469.36870 204.5
[M+CH3COO]- 483.38435 209.6
[M+Na-2H]- 445.34517 203.5
[M]+ 424.36995 195.9
[M]- 424.37105 195.9
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.