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
1
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]+ 285.22130 171.1
[M+Na]+ 307.20324 177.8
[M-H]- 283.20674 176.1
[M+NH4]+ 302.24784 195.9
[M+K]+ 323.17718 171.6
[M+H-H2O]+ 267.21128 164.4
[M+HCOO]- 329.21222 183.4
[M+CH3COO]- 343.22787 181.5
[M+Na-2H]- 305.18869 172.4
[M]+ 284.21347 165.6
[M]- 284.21457 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

No patent data available for this compound.