CID 5317482

Gancaonin f

Structural Information

Molecular Formula
C21H16O6
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2OC)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)C
InChI
InChI=1S/C21H16O6/c1-21(2)7-6-12-14(27-21)9-15-17(18(12)24-3)19-16(20(23)26-15)11-5-4-10(22)8-13(11)25-19/h4-9,22H,1-3H3
InChIKey
YURHIASRSSMERJ-UHFFFAOYSA-N
Compound name
6-hydroxy-21-methoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,13,15(20),18-octaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.0947 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10198 181.5
[M+Na]+ 387.08392 196.6
[M-H]- 363.08742 192.0
[M+NH4]+ 382.12852 198.1
[M+K]+ 403.05786 195.4
[M+H-H2O]+ 347.09196 174.3
[M+HCOO]- 409.09290 199.3
[M+CH3COO]- 423.10855 195.1
[M+Na-2H]- 385.06937 190.4
[M]+ 364.09415 193.5
[M]- 364.09525 193.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.