CID 10425017

560-62-3

Structural Information

Molecular Formula
C19H26O3
SMILES
C[C@]12CC[C@]3([C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@@]43C)O
InChI
InChI=1S/C19H26O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h11,14-15,22H,3-10H2,1-2H3/t14-,15-,17-,18-,19+/m0/s1
InChIKey
SNMVJSSWZSJOGL-PLOWYNNNSA-N
Compound name
(8S,9R,10S,13S,14S)-9-hydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

382
Patents

302.1882 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 174.4
[M+Na]+ 325.17742 183.3
[M+NH4]+ 320.22202 187.7
[M+K]+ 341.15136 172.5
[M-H]- 301.18092 176.2
[M+Na-2H]- 323.16287 178.0
[M]+ 302.18765 176.4
[M]- 302.18875 176.4
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

patents stripe