CID 14165048

Delta6-dehydroferruginol

Structural Information

Molecular Formula
C20H28O
SMILES
CC(C)C1=C(C=C2C(=C1)C=CC3C2(CCCC3(C)C)C)O
InChI
InChI=1S/C20H28O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h7-8,11-13,18,21H,6,9-10H2,1-5H3
InChIKey
NCHINJPZLGMLCY-UHFFFAOYSA-N
Compound name
4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.21402 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.22130 170.2
[M+Na]+ 307.20324 183.5
[M+NH4]+ 302.24784 183.1
[M+K]+ 323.17718 171.4
[M-H]- 283.20674 174.2
[M+Na-2H]- 305.18869 177.2
[M]+ 284.21347 173.8
[M]- 284.21457 173.8
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