CID 3516474

3-hydroxy-10,11,13-trimethyl-hexadecahydro-cyclopenta(a)phenanthren-17-one

Structural Information

Molecular Formula
C20H32O2
SMILES
CC1CC2(C(CCC2=O)C3C1C4(CCC(CC4CC3)O)C)C
InChI
InChI=1S/C20H32O2/c1-12-11-20(3)16(6-7-17(20)22)15-5-4-13-10-14(21)8-9-19(13,2)18(12)15/h12-16,18,21H,4-11H2,1-3H3
InChIKey
FHSSMFXPNPSOIA-UHFFFAOYSA-N
Compound name
3-hydroxy-10,11,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.24023 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 177.1
[M+Na]+ 327.22945 182.0
[M-H]- 303.23295 179.9
[M+NH4]+ 322.27405 200.3
[M+K]+ 343.20339 176.1
[M+H-H2O]+ 287.23749 171.3
[M+HCOO]- 349.23843 184.8
[M+CH3COO]- 363.25408 185.7
[M+Na-2H]- 325.21490 175.8
[M]+ 304.23968 168.8
[M]- 304.24078 168.8
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.