CID 13962390

15847-24-2

Structural Information

Molecular Formula
C21H30O5
SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O
InChI
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-18,22,24-26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,18+,19-,20-,21-/m0/s1
InChIKey
LCOVYWIXMAJCDS-LCGKLAOVSA-N
Compound name
(8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

362.20932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21660 185.5
[M+Na]+ 385.19854 192.2
[M+NH4]+ 380.24314 196.5
[M+K]+ 401.17248 184.0
[M-H]- 361.20204 185.0
[M+Na-2H]- 383.18399 186.9
[M]+ 362.20877 186.4
[M]- 362.20987 186.4
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

patents stripe