CID 10861210

11alpha-hydroxycanrenone

Structural Information

Molecular Formula
C22H28O4
SMILES
C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)O
InChI
InChI=1S/C22H28O4/c1-20-8-5-14(23)11-13(20)3-4-15-16-6-9-22(10-7-18(25)26-22)21(16,2)12-17(24)19(15)20/h3-4,11,15-17,19,24H,5-10,12H2,1-2H3/t15-,16-,17+,19+,20-,21-,22+/m0/s1
InChIKey
RJTDWMKVQUPGSY-NYTLBARGSA-N
Compound name
(8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

356.19876 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20604 185.8
[M+Na]+ 379.18798 194.2
[M+NH4]+ 374.23258 198.8
[M+K]+ 395.16192 186.0
[M-H]- 355.19148 189.4
[M+Na-2H]- 377.17343 188.0
[M]+ 356.19821 188.3
[M]- 356.19931 188.3
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