CID 10485351

Termitomycesphin f

Structural Information

Molecular Formula
C43H83NO10
SMILES
CCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCC(C(C)CCCCCCCCC)O)O)O
InChI
InChI=1S/C43H83NO10/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-24-30-37(48)42(52)44-34(32-53-43-41(51)40(50)39(49)38(31-45)54-43)36(47)29-26-25-28-35(46)33(3)27-23-21-19-11-9-7-5-2/h26,29,33-41,43,45-51H,4-25,27-28,30-32H2,1-3H3,(H,44,52)/b29-26+/t33?,34-,35?,36+,37+,38+,39+,40-,41+,43+/m0/s1
InChIKey
BJMQARSMRDABQI-LOJLZSRWSA-N
Compound name
(2R)-N-[(E,2S,3R)-3,8-dihydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]-2-hydroxyoctadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

773.6017 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.60898 285.1
[M+Na]+ 796.59092 284.8
[M-H]- 772.59442 279.5
[M+NH4]+ 791.63552 282.3
[M+K]+ 812.56486 288.8
[M+H-H2O]+ 756.59896 281.6
[M+HCOO]- 818.59990 274.8
[M+CH3COO]- 832.61555 288.7
[M+Na-2H]- 794.57637 262.6
[M]+ 773.60115 277.7
[M]- 773.60225 277.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.