CID 75051792

(1e,4z,6a,8b,10a)-8-angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide

Structural Information

Molecular Formula
C20H24O7
SMILES
CC=C(C)C(=O)OC1CC(C=CC(=O)C(=CC2C1C(=C)C(=O)O2)CO)(C)O
InChI
InChI=1S/C20H24O7/c1-5-11(2)18(23)27-16-9-20(4,25)7-6-14(22)13(10-21)8-15-17(16)12(3)19(24)26-15/h5-8,15-17,21,25H,3,9-10H2,1-2,4H3
InChIKey
NEJKUCWBWUMARI-UHFFFAOYSA-N
Compound name
[6-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

376.1522 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15948 184.5
[M+Na]+ 399.14142 191.5
[M+NH4]+ 394.18602 188.0
[M+K]+ 415.11536 189.0
[M-H]- 375.14492 182.9
[M+Na-2H]- 397.12687 183.2
[M]+ 376.15165 184.3
[M]- 376.15275 184.3
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.