CID 205969

Delanterone

Structural Information

Molecular Formula
C20H28O
SMILES
C[C@H]1CC(=O)C=C2[C@]1([C@H]3CC[C@@]4(C=CC[C@H]4[C@@H]3CC2)C)C
InChI
InChI=1S/C20H28O/c1-13-11-15(21)12-14-6-7-16-17-5-4-9-19(17,2)10-8-18(16)20(13,14)3/h4,9,12-13,16-18H,5-8,10-11H2,1-3H3/t13-,16-,17-,18-,19-,20-/m0/s1
InChIKey
GDONNNQFENTLQC-VWTPSIDOSA-N
Compound name
(1S,8S,9S,10R,13R,14S)-1,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

284.21402 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.221296 171.1
[M+Na]+ 307.203238 177.8
[M-H]- 283.206744 176.1
[M+NH4]+ 302.247843 195.9
[M+K]+ 323.177178 171.6
[M+H-H2O]+ 267.211280 164.4
[M+HCOO]- 329.212221 183.4
[M+CH3COO]- 343.227871 181.5
[M+Na-2H]- 305.188686 172.4
[M]+ 284.21347142 165.6
[M]- 284.21456858 165.6
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