CID 46832173

11-hydroxyferruginol

Structural Information

Molecular Formula
C20H30O2
SMILES
CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)O)O
InChI
InChI=1S/C20H30O2/c1-12(2)14-11-13-7-8-15-19(3,4)9-6-10-20(15,5)16(13)18(22)17(14)21/h11-12,15,21-22H,6-10H2,1-5H3/t15-,20-/m0/s1
InChIKey
MUVSVZOWXAYLSD-YWZLYKJASA-N
Compound name
(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7
Patents

302.22458 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 174.2
[M+Na]+ 325.21380 185.9
[M+NH4]+ 320.25840 186.1
[M+K]+ 341.18774 175.1
[M-H]- 301.21730 177.0
[M+Na-2H]- 323.19925 179.2
[M]+ 302.22403 177.1
[M]- 302.22513 177.1
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