CID 77227632

Mangiferursanone

Structural Information

Molecular Formula
C30H50O
SMILES
CC1CCC2(CCC3(C(C2C1C)CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C
InChI
InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-23,25H,9-18H2,1-8H3
InChIKey
YEVQBJVJPQFPNE-UHFFFAOYSA-N
Compound name
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydropicen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.38617 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.393446 206.0
[M+Na]+ 449.375388 210.6
[M-H]- 425.378894 209.2
[M+NH4]+ 444.419993 229.2
[M+K]+ 465.349328 203.7
[M+H-H2O]+ 409.383430 194.8
[M+HCOO]- 471.384371 205.5
[M+CH3COO]- 485.400021 211.5
[M+Na-2H]- 447.360836 203.6
[M]+ 426.38562142 196.6
[M]- 426.38671858 196.6
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.