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]+ 427.39345 206.0
[M+Na]+ 449.37539 210.6
[M-H]- 425.37889 209.2
[M+NH4]+ 444.41999 229.2
[M+K]+ 465.34933 203.7
[M+H-H2O]+ 409.38343 194.8
[M+HCOO]- 471.38437 205.5
[M+CH3COO]- 485.40002 211.5
[M+Na-2H]- 447.36084 203.6
[M]+ 426.38562 196.6
[M]- 426.38672 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.