CID 10039776

Benorterone

Structural Information

Molecular Formula
C19H28O2
SMILES
C[C@]12CCC(=O)C=C1C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C
InChI
InChI=1S/C19H28O2/c1-17-7-4-13(20)10-12(17)11-14-15(17)5-8-18(2)16(14)6-9-19(18,3)21/h10,14-16,21H,4-9,11H2,1-3H3/t14-,15+,16+,17+,18+,19+/m1/s1
InChIKey
RQETXCPBBLHUIB-UGCZWRCOSA-N
Compound name
(3S,3aS,5aS,5bR,10aR,10bS)-3-hydroxy-3,3a,5b-trimethyl-1,2,4,5,5a,6,7,10,10a,10b-decahydrocyclopenta[a]fluoren-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

288.20892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.216196 172.6
[M+Na]+ 311.198138 180.4
[M-H]- 287.201644 176.8
[M+NH4]+ 306.242743 200.3
[M+K]+ 327.172078 174.0
[M+H-H2O]+ 271.206180 168.2
[M+HCOO]- 333.207121 184.7
[M+CH3COO]- 347.222771 183.2
[M+Na-2H]- 309.183586 173.1
[M]+ 288.20837142 168.0
[M]- 288.20946858 168.0
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