CID 7076399

5571-36-8

Structural Information

Molecular Formula
C20H26O3
SMILES
C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC5(C4)OCCO5
InChI
InChI=1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/m1/s1
InChIKey
XUOQKQRMICQUQC-AOIWGVFYSA-N
Compound name
(8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

314.1882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 174.5
[M+Na]+ 337.17742 180.4
[M-H]- 313.18092 182.5
[M+NH4]+ 332.22202 196.7
[M+K]+ 353.15136 176.9
[M+H-H2O]+ 297.18546 168.4
[M+HCOO]- 359.18640 184.6
[M+CH3COO]- 373.20205 184.6
[M+Na-2H]- 335.16287 175.5
[M]+ 314.18765 169.1
[M]- 314.18875 169.1
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.