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

313
Patents

288.20892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21620 172.6
[M+Na]+ 311.19814 180.4
[M-H]- 287.20164 176.8
[M+NH4]+ 306.24274 200.3
[M+K]+ 327.17208 174.0
[M+H-H2O]+ 271.20618 168.2
[M+HCOO]- 333.20712 184.7
[M+CH3COO]- 347.22277 183.2
[M+Na-2H]- 309.18359 173.1
[M]+ 288.20837 168.0
[M]- 288.20947 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.