CID 10039774

13-ehgeo

Structural Information

Molecular Formula
C19H28O2
SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C19H28O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,14-18,21H,2-10H2,1H3/t14-,15+,16+,17-,18-,19-/m0/s1
InChIKey
FBYZQDCRLYHHHP-ZOFHRBRSSA-N
Compound name
(8R,9S,10R,13S,14S,17S)-13-ethyl-17-hydroxy-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

82
Patents

288.20892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21620 171.3
[M+Na]+ 311.19814 175.7
[M-H]- 287.20164 174.2
[M+NH4]+ 306.24274 192.9
[M+K]+ 327.17208 169.7
[M+H-H2O]+ 271.20618 165.1
[M+HCOO]- 333.20712 181.1
[M+CH3COO]- 347.22277 180.3
[M+Na-2H]- 309.18359 171.0
[M]+ 288.20837 163.4
[M]- 288.20947 163.4
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.