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]+ 313.17983 175.1
[M+Na]+ 335.16177 181.6
[M-H]- 311.16527 179.2
[M+NH4]+ 330.20637 196.0
[M+K]+ 351.13571 176.4
[M+H-H2O]+ 295.16981 168.9
[M+HCOO]- 357.17075 188.2
[M+CH3COO]- 371.18640 185.1
[M+Na-2H]- 333.14722 176.4
[M]+ 312.17200 172.8
[M]- 312.17310 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.