CID 15293564

Clausarinol

Structural Information

Molecular Formula
C24H30O6
SMILES
CC1(C(C(C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)O)O)C
InChI
InChI=1S/C24H30O6/c1-9-22(3,4)13-11-12-16(25)14-17(26)20(27)24(7,8)30-19(14)15(23(5,6)10-2)18(12)29-21(13)28/h9-11,17,20,25-27H,1-2H2,3-8H3
InChIKey
AMSRLBLJHNYGNW-UHFFFAOYSA-N
Compound name
3,4,5-trihydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-3,4-dihydropyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

414.20422 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21150 198.7
[M+Na]+ 437.19344 207.9
[M-H]- 413.19694 202.0
[M+NH4]+ 432.23804 209.8
[M+K]+ 453.16738 205.8
[M+H-H2O]+ 397.20148 193.6
[M+HCOO]- 459.20242 206.4
[M+CH3COO]- 473.21807 227.6
[M+Na-2H]- 435.17889 202.9
[M]+ 414.20367 203.6
[M]- 414.20477 203.6
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

patents stripe