CID 387958

Nsc682315

Structural Information

Molecular Formula
C23H28O5
SMILES
CCCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@@H]([C@@H]([C@H](O4)C)C)O
InChI
InChI=1S/C23H28O5/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/h9-13,19,25H,6-8H2,1-5H3/t12-,13-,19-/m1/s1
InChIKey
DTDMVEPTERPADP-VLXJIEOASA-N
Compound name
(16R,17S,18R)-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),11-pentaen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.19366 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20094 194.4
[M+Na]+ 407.18288 204.7
[M-H]- 383.18638 201.8
[M+NH4]+ 402.22748 207.6
[M+K]+ 423.15682 203.5
[M+H-H2O]+ 367.19092 186.2
[M+HCOO]- 429.19186 205.3
[M+CH3COO]- 443.20751 225.4
[M+Na-2H]- 405.16833 198.4
[M]+ 384.19311 200.9
[M]- 384.19421 200.9
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.