CID 487266

(3s,10s,13s)-10,13-dimethyl-2,3,4,7,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol

Structural Information

Molecular Formula
C19H28O
SMILES
C[C@@]12CCCC1C3=C(CC2)[C@]4(CC[C@@H](CC4=CC3)O)C
InChI
InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h5,14,16,20H,3-4,6-12H2,1-2H3/t14-,16?,18-,19-/m0/s1
InChIKey
GIMNZGXBDFSQHQ-JYNSZKMYSA-N
Compound name
(3S,10S,13S)-10,13-dimethyl-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.21402 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.22130 169.0
[M+Na]+ 295.20324 174.6
[M-H]- 271.20674 172.5
[M+NH4]+ 290.24784 193.4
[M+K]+ 311.17718 168.4
[M+H-H2O]+ 255.21128 162.5
[M+HCOO]- 317.21222 180.0
[M+CH3COO]- 331.22787 178.7
[M+Na-2H]- 293.18869 171.0
[M]+ 272.21347 161.8
[M]- 272.21457 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.