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
2
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]+ 371.258076 189.3
[M+Na]+ 393.240018 195.8
[M-H]- 369.243524 196.8
[M+NH4]+ 388.284623 211.4
[M+K]+ 409.213958 192.2
[M+H-H2O]+ 353.248060 180.4
[M+HCOO]- 415.249001 195.4
[M+CH3COO]- 429.264651 198.1
[M+Na-2H]- 391.225466 191.5
[M]+ 370.25025142 184.1
[M]- 370.25134858 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.