CID 162944268

(8s,9s,10r,13s,14s,17r)-17-hydroxy-17-[(1s)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione

Structural Information

Molecular Formula
C21H30O4
SMILES
C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O
InChI
InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,12,15-16,18,22,25H,4-9,11H2,1-3H3/t12-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey
GEVWLWBRCPGHPV-BDFCOIRRSA-N
Compound name
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.21442 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22170 184.2
[M+Na]+ 369.20364 190.2
[M-H]- 345.20714 186.2
[M+NH4]+ 364.24824 206.8
[M+K]+ 385.17758 184.7
[M+H-H2O]+ 329.21168 179.4
[M+HCOO]- 391.21262 190.9
[M+CH3COO]- 405.22827 210.8
[M+Na-2H]- 367.18909 184.0
[M]+ 346.21387 178.4
[M]- 346.21497 178.4
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.