CID 11024303

33300-19-5

Structural Information

Molecular Formula
C21H27NO3
SMILES
C[C@]12CC=C3[C@H]([C@@H]1CC[C@@]2(C#N)O)CCC4=C3CCC5(C4)OCCO5
InChI
InChI=1S/C21H27NO3/c1-19-7-4-16-15-5-9-21(24-10-11-25-21)12-14(15)2-3-17(16)18(19)6-8-20(19,23)13-22/h4,17-18,23H,2-3,5-12H2,1H3/t17-,18+,19+,20+/m1/s1
InChIKey
ITBGBOBQGVJJRT-FYQPLNBISA-N
Compound name
(8S,13S,14S,17R)-17-hydroxy-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

341.1991 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 183.3
[M+Na]+ 364.18832 191.7
[M+NH4]+ 359.23292 192.7
[M+K]+ 380.16226 180.4
[M-H]- 340.19182 180.8
[M+Na-2H]- 362.17377 183.3
[M]+ 341.19855 183.3
[M]- 341.19965 183.3
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

patents stripe