CID 171121096

Sebiferumnin k

Structural Information

Molecular Formula
C20H26O4
SMILES
C[C@@]12C=C(C(=O)C([C@H]1CC[C@]34[C@H]2C[C@H]([C@H](C3=O)O)C(=C)C4)(C)C)O
InChI
InChI=1S/C20H26O4/c1-10-8-20-6-5-13-18(2,3)16(23)12(21)9-19(13,4)14(20)7-11(10)15(22)17(20)24/h9,11,13-15,21-22H,1,5-8H2,2-4H3/t11-,13+,14-,15+,19+,20-/m0/s1
InChIKey
HHBVERULRFFHAG-IZIVTLEVSA-N
Compound name
(1S,4S,9R,10S,12S,13R)-7,13-dihydroxy-5,5,9-trimethyl-16-methylidenetetracyclo[10.2.2.01,10.04,9]hexadec-7-ene-6,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1831 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 176.1
[M+Na]+ 353.17232 182.5
[M-H]- 329.17582 173.3
[M+NH4]+ 348.21692 200.1
[M+K]+ 369.14626 176.7
[M+H-H2O]+ 313.18036 169.2
[M+HCOO]- 375.18130 177.4
[M+CH3COO]- 389.19695 183.6
[M+Na-2H]- 351.15777 182.0
[M]+ 330.18255 174.7
[M]- 330.18365 174.7
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.