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
1
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]+ 371.22170 186.9
[M+Na]+ 393.20364 194.7
[M-H]- 369.20714 195.2
[M+NH4]+ 388.24824 209.9
[M+K]+ 409.17758 190.9
[M+H-H2O]+ 353.21168 180.9
[M+HCOO]- 415.21262 196.0
[M+CH3COO]- 429.22827 196.8
[M+Na-2H]- 391.18909 188.9
[M]+ 370.21387 184.7
[M]- 370.21497 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.