CID 165342694

Dtxsid301137011

Structural Information

Molecular Formula
C24H34O3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC24OCC(CO4)(C)C)CCC5=CC(=O)C=C[C@]35C
InChI
InChI=1S/C24H34O3/c1-21(2)14-26-24(27-15-21)12-9-20-18-6-5-16-13-17(25)7-10-22(16,3)19(18)8-11-23(20,24)4/h7,10,13,18-20H,5-6,8-9,11-12,14-15H2,1-4H3/t18-,19+,20+,22+,23+/m1/s1
InChIKey
XEXIBPGOXTXPGY-ZVLHEHLASA-N
Compound name
(8'R,9'S,10'R,13'S,14'S)-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.2508 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.25808 192.0
[M+Na]+ 393.24002 202.1
[M+NH4]+ 388.28462 207.2
[M+K]+ 409.21396 189.1
[M-H]- 369.24352 198.7
[M+Na-2H]- 391.22547 196.6
[M]+ 370.25025 196.1
[M]- 370.25135 196.1
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.