CID 70359490

4349-94-4

Structural Information

Molecular Formula
C20H34O2
SMILES
C[C@H]1C[C@H](C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C)O
InChI
InChI=1S/C20H34O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-18,21-22H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17-,18-,19-,20-/m0/s1
InChIKey
CYBREHOEFDYISP-MBYHYQHRSA-N
Compound name
(1S,3R,5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.2559 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 178.9
[M+Na]+ 329.24512 183.2
[M-H]- 305.24862 180.4
[M+NH4]+ 324.28972 201.5
[M+K]+ 345.21906 177.1
[M+H-H2O]+ 289.25316 173.5
[M+HCOO]- 351.25410 184.9
[M+CH3COO]- 365.26975 186.9
[M+Na-2H]- 327.23057 177.2
[M]+ 306.25535 169.6
[M]- 306.25645 169.6
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.