CID 162345202

Ns00133384

Structural Information

Molecular Formula
C19H24O3
SMILES
C[C@]12CC([C@H]3[C@H]([C@@H]1CCC2=O)CCC45[C@@]3(C4C(=O)C=C5)C)O
InChI
InChI=1S/C19H24O3/c1-17-9-13(21)15-10(11(17)3-4-14(17)22)5-7-19-8-6-12(20)16(19)18(15,19)2/h6,8,10-11,13,15-16,21H,3-5,7,9H2,1-2H3/t10-,11-,13?,15+,16?,17-,18-,19?/m0/s1
InChIKey
IERLXJSARJOSLJ-PTVPNIJXSA-N
Compound name
(1S,2S,10S,11S,15S)-17-hydroxy-2,15-dimethylpentacyclo[8.7.0.02,7.03,7.011,15]heptadec-5-ene-4,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.17255 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.179826 172.3
[M+Na]+ 323.161768 182.8
[M-H]- 299.165274 178.6
[M+NH4]+ 318.206373 194.7
[M+K]+ 339.135708 176.8
[M+H-H2O]+ 283.169810 169.3
[M+HCOO]- 345.170751 182.7
[M+CH3COO]- 359.186401 183.0
[M+Na-2H]- 321.147216 173.5
[M]+ 300.17200142 173.0
[M]- 300.17309858 173.0
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.