CID 387959

Nsc682318

Structural Information

Molecular Formula
C23H30O5
SMILES
CCCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C4=C2[C@H]([C@H]([C@@H](O4)C)C)O
InChI
InChI=1S/C23H30O5/c1-6-7-8-14-11-16(24)27-22-17(14)21-15(9-10-23(4,5)28-21)20-18(22)19(25)12(2)13(3)26-20/h11-13,19,25H,6-10H2,1-5H3/t12-,13-,19-/m0/s1
InChIKey
RKKHDYPAPHNPLT-JMERFSKESA-N
Compound name
(16S,17R,18S)-6-butyl-18-hydroxy-10,10,16,17-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.20932 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21660 195.1
[M+Na]+ 409.19854 204.3
[M-H]- 385.20204 202.0
[M+NH4]+ 404.24314 208.1
[M+K]+ 425.17248 203.2
[M+H-H2O]+ 369.20658 187.0
[M+HCOO]- 431.20752 204.5
[M+CH3COO]- 445.22317 225.8
[M+Na-2H]- 407.18399 198.2
[M]+ 386.20877 200.1
[M]- 386.20987 200.1
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.