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 197.7
[M+Na]+ 437.19344 209.2
[M+NH4]+ 432.23804 203.3
[M+K]+ 453.16738 204.0
[M-H]- 413.19694 199.2
[M+Na-2H]- 435.17889 198.3
[M]+ 414.20367 200.0
[M]- 414.20477 200.0
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