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 181.1
[M+Na]+ 399.14142 188.3
[M-H]- 375.14492 181.4
[M+NH4]+ 394.18602 193.3
[M+K]+ 415.11536 186.6
[M+H-H2O]+ 359.14946 181.0
[M+HCOO]- 421.15040 194.2
[M+CH3COO]- 435.16605 210.7
[M+Na-2H]- 397.12687 177.8
[M]+ 376.15165 180.8
[M]- 376.15275 180.8
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.