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
1
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]+ 381.20604 193.7
[M+Na]+ 403.18798 200.3
[M-H]- 379.19148 193.6
[M+NH4]+ 398.23258 205.8
[M+K]+ 419.16192 193.6
[M+H-H2O]+ 363.19602 187.4
[M+HCOO]- 425.19696 203.9
[M+CH3COO]- 439.21261 218.7
[M+Na-2H]- 401.17343 190.4
[M]+ 380.19821 193.3
[M]- 380.19931 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.