CID 3530567

Euglobal ia1

Structural Information

Molecular Formula
C23H30O5
SMILES
CC(C)CC1C2CC(C=CC2(OC3=C(C(=C(C(=C13)O)C=O)O)C=O)C)C(C)C
InChI
InChI=1S/C23H30O5/c1-12(2)8-15-18-9-14(13(3)4)6-7-23(18,5)28-22-17(11-25)20(26)16(10-24)21(27)19(15)22/h6-7,10-15,18,26-27H,8-9H2,1-5H3
InChIKey
GCAXPYWXIWWHHT-UHFFFAOYSA-N
Compound name
1,3-dihydroxy-10a-methyl-9-(2-methylpropyl)-7-propan-2-yl-7,8,8a,9-tetrahydroxanthene-2,4-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

386.20932 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21660 192.5
[M+Na]+ 409.19854 199.5
[M-H]- 385.20204 195.5
[M+NH4]+ 404.24314 206.2
[M+K]+ 425.17248 196.6
[M+H-H2O]+ 369.20658 186.3
[M+HCOO]- 431.20752 202.5
[M+CH3COO]- 445.22317 224.2
[M+Na-2H]- 407.18399 191.2
[M]+ 386.20877 195.2
[M]- 386.20987 195.2
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