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

6
Patents

414.20422 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.211496 198.7
[M+Na]+ 437.193438 207.9
[M-H]- 413.196944 202.0
[M+NH4]+ 432.238043 209.8
[M+K]+ 453.167378 205.8
[M+H-H2O]+ 397.201480 193.6
[M+HCOO]- 459.202421 206.4
[M+CH3COO]- 473.218071 227.6
[M+Na-2H]- 435.178886 202.9
[M]+ 414.20367142 203.6
[M]- 414.20476858 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