CID 242493

641-82-7

Structural Information

Molecular Formula
C20H34O2
SMILES
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O
InChI
InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey
QGKQXZFZOIQFBI-XSWYFRFISA-N
Compound name
(3R,5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

40
Patents

306.2559 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 179.4
[M+Na]+ 329.24512 184.1
[M-H]- 305.24862 180.9
[M+NH4]+ 324.28972 203.7
[M+K]+ 345.21906 177.9
[M+H-H2O]+ 289.25316 173.8
[M+HCOO]- 351.25410 185.5
[M+CH3COO]- 365.26975 187.5
[M+Na-2H]- 327.23057 179.4
[M]+ 306.25535 170.3
[M]- 306.25645 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.