CID 91193

24508-01-8

Structural Information

Molecular Formula
C20H24O3
SMILES
CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3=CC2)CCC4O)C
InChI
InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4-6,11,16,18-19,22H,3,7-10H2,1-2H3
InChIKey
RVWUTTUZKJOUDV-UHFFFAOYSA-N
Compound name
(17-hydroxy-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.17255 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.179826 175.1
[M+Na]+ 335.161768 181.6
[M-H]- 311.165274 179.2
[M+NH4]+ 330.206373 196.0
[M+K]+ 351.135708 176.4
[M+H-H2O]+ 295.169810 168.9
[M+HCOO]- 357.170751 188.2
[M+CH3COO]- 371.186401 185.1
[M+Na-2H]- 333.147216 176.4
[M]+ 312.17200142 172.8
[M]- 312.17309858 172.8
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.