CID 71588363

Clausrin

Structural Information

Molecular Formula
C24H30O4
SMILES
CC1(C=CC2=C(O1)C(C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C
InChI
InChI=1S/C24H30O4/c1-9-22(3,4)16-13-15-18(25)14-11-12-24(7,8)28-20(14)17(23(5,6)10-2)19(15)27-21(16)26/h9-13,17,19,25H,1-2H2,3-8H3
InChIKey
TXYNUNIBVFHMGB-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.21442 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.22170 192.1
[M+Na]+ 405.20364 200.2
[M-H]- 381.20714 197.2
[M+NH4]+ 400.24824 205.5
[M+K]+ 421.17758 197.7
[M+H-H2O]+ 365.21168 186.5
[M+HCOO]- 427.21262 201.3
[M+CH3COO]- 441.22827 224.5
[M+Na-2H]- 403.18909 196.8
[M]+ 382.21387 195.3
[M]- 382.21497 195.3
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

No patent data available for this compound.