CID 139594348

Dtxsid801036614

Structural Information

Molecular Formula
C23H30O4
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C4(OCCO4)C)O)C=CC5=CC(=O)C=C[C@]35C
InChI
InChI=1S/C23H30O4/c1-20-9-6-16(24)14-15(20)4-5-17-18(20)7-10-21(2)19(17)8-11-23(21,25)22(3)26-12-13-27-22/h4-6,9,14,17-19,25H,7-8,10-13H2,1-3H3/t17-,18+,19+,20+,21+,23-/m1/s1
InChIKey
BJXCYYNRXOKYPB-ZFBQMQJZSA-N
Compound name
(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

370.21442 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.221696 186.9
[M+Na]+ 393.203638 194.7
[M-H]- 369.207144 195.2
[M+NH4]+ 388.248243 209.9
[M+K]+ 409.177578 190.9
[M+H-H2O]+ 353.211680 180.9
[M+HCOO]- 415.212621 196.0
[M+CH3COO]- 429.228271 196.8
[M+Na-2H]- 391.189086 188.9
[M]+ 370.21387142 184.7
[M]- 370.21496858 184.7
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.