CID 44257478

Clandestacarpin

Structural Information

Molecular Formula
C20H16O5
SMILES
CC(=C)C1=CC2=C(O1)C=CC3=C2OCC4(C3OC5=C4C=CC(=C5)O)O
InChI
InChI=1S/C20H16O5/c1-10(2)16-8-13-15(24-16)6-4-12-18(13)23-9-20(22)14-5-3-11(21)7-17(14)25-19(12)20/h3-8,19,21-22H,1,9H2,2H3
InChIKey
JHGGFHPIFBPWNE-UHFFFAOYSA-N
Compound name
16-prop-1-en-2-yl-3,12,17-trioxapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),4(9),5,7,14(18),15,19-heptaene-6,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

336.09976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 174.3
[M+Na]+ 359.08898 185.6
[M-H]- 335.09248 182.3
[M+NH4]+ 354.13358 192.6
[M+K]+ 375.06292 183.2
[M+H-H2O]+ 319.09702 170.3
[M+HCOO]- 381.09796 188.2
[M+CH3COO]- 395.11361 186.5
[M+Na-2H]- 357.07443 179.1
[M]+ 336.09921 179.7
[M]- 336.10031 179.7
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