CID 480818

Gancaonin u

Structural Information

Molecular Formula
C24H28O4
SMILES
CC(=CCC1=C2CCC3=CC(=C(C=C3C2=C(C(=C1O)CC=C(C)C)O)O)O)C
InChI
InChI=1S/C24H28O4/c1-13(2)5-8-17-16-10-7-15-11-20(25)21(26)12-19(15)22(16)24(28)18(23(17)27)9-6-14(3)4/h5-6,11-12,25-28H,7-10H2,1-4H3
InChIKey
YJJXCOSDPIJFJR-UHFFFAOYSA-N
Compound name
6,8-bis(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,3,5,7-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

380.19876 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.206036 193.7
[M+Na]+ 403.187978 200.3
[M-H]- 379.191484 193.6
[M+NH4]+ 398.232583 205.8
[M+K]+ 419.161918 193.6
[M+H-H2O]+ 363.196020 187.4
[M+HCOO]- 425.196961 203.9
[M+CH3COO]- 439.212611 218.7
[M+Na-2H]- 401.173426 190.4
[M]+ 380.19821142 193.3
[M]- 380.19930858 193.3
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.