CID 131752437

Trilobinol

Structural Information

Molecular Formula
C20H28O2
SMILES
CC(C)C1=C(C=C2C(=C1)C(=CC3C2(CCCC3(C)C)C)O)O
InChI
InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,18,21-22H,6-8H2,1-5H3
InChIKey
UIJOYOSDYSTACV-UHFFFAOYSA-N
Compound name
4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,10-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

300.20892 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 172.9
[M+Na]+ 323.19814 185.5
[M+NH4]+ 318.24274 184.8
[M+K]+ 339.17208 174.5
[M-H]- 299.20164 175.9
[M+Na-2H]- 321.18359 178.8
[M]+ 300.20837 176.0
[M]- 300.20947 176.0
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

patents stripe