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 189.3
[M+Na]+ 393.24002 195.8
[M-H]- 369.24352 196.8
[M+NH4]+ 388.28462 211.4
[M+K]+ 409.21396 192.2
[M+H-H2O]+ 353.24806 180.4
[M+HCOO]- 415.24900 195.4
[M+CH3COO]- 429.26465 198.1
[M+Na-2H]- 391.22547 191.5
[M]+ 370.25025 184.1
[M]- 370.25135 184.1
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.