CID 171121097

Sebiferumnin l

Structural Information

Molecular Formula
C20H28O4
SMILES
C[C@@]12CC(=O)[C@H](C([C@H]1CC[C@]34[C@H]2C[C@H](CC3=O)C(=C)[C@@H]4O)(C)C)O
InChI
InChI=1S/C20H28O4/c1-10-11-7-14-19(4)9-12(21)17(24)18(2,3)13(19)5-6-20(14,16(10)23)15(22)8-11/h11,13-14,16-17,23-24H,1,5-9H2,2-4H3/t11-,13-,14+,16+,17-,19-,20+/m1/s1
InChIKey
ZFHYMONQRAXFJF-XCBBIKKWSA-N
Compound name
(1R,4S,6S,9R,10S,12R,15S)-6,15-dihydroxy-5,5,9-trimethyl-16-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-7,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.19876 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 177.1
[M+Na]+ 355.18798 182.5
[M-H]- 331.19148 173.8
[M+NH4]+ 350.23258 200.8
[M+K]+ 371.16192 176.7
[M+H-H2O]+ 315.19602 170.3
[M+HCOO]- 377.19696 176.9
[M+CH3COO]- 391.21261 184.0
[M+Na-2H]- 353.17343 182.0
[M]+ 332.19821 174.2
[M]- 332.19931 174.2
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.