CID 131751200

(1(10)e,4e,6a,8b)-8-angeloyloxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide

Structural Information

Molecular Formula
C20H24O5
SMILES
C/C=C(/C)\C(=O)OC1C/C(=C\CC/C(=C/C2C1C(=C)C(=O)O2)/C)/C=O
InChI
InChI=1S/C20H24O5/c1-5-13(3)19(22)24-17-10-15(11-21)8-6-7-12(2)9-16-18(17)14(4)20(23)25-16/h5,8-9,11,16-18H,4,6-7,10H2,1-3H3/b12-9+,13-5-,15-8+
InChIKey
LLFFQXOEXCHHKX-VICSYAIFSA-N
Compound name
[(6E,10E)-6-formyl-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16238 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.169656 176.4
[M+Na]+ 367.151598 183.1
[M-H]- 343.155104 178.9
[M+NH4]+ 362.196203 189.2
[M+K]+ 383.125538 181.3
[M+H-H2O]+ 327.159640 174.7
[M+HCOO]- 389.160581 192.4
[M+CH3COO]- 403.176231 209.7
[M+Na-2H]- 365.137046 172.5
[M]+ 344.16183142 176.0
[M]- 344.16292858 176.0
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.