CID 44147668

94291-97-1

Structural Information

Molecular Formula
C24H35NO3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#N)O)CCC4=C3CCC5(C4)OCC(CO5)(C)C
InChI
InChI=1S/C24H35NO3/c1-21(2)14-27-24(28-15-21)11-7-17-16(12-24)4-5-19-18(17)6-9-22(3)20(19)8-10-23(22,26)13-25/h18-20,26H,4-12,14-15H2,1-3H3/t18-,19-,20+,22+,23+/m1/s1
InChIKey
VHPYGHVYPBYDMS-IDNQLYMWSA-N
Compound name
(8R,9S,13S,14S,17R)-17-hydroxy-5',5',13-trimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-17-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2617 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.26898 194.0
[M+Na]+ 408.25092 202.1
[M+NH4]+ 403.29552 204.2
[M+K]+ 424.22486 187.5
[M-H]- 384.25442 192.0
[M+Na-2H]- 406.23637 194.5
[M]+ 385.26115 194.3
[M]- 385.26225 194.3
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.