CID 131752930

3-oxo-6b-angeloyloxy-8b-hydroxy-7(11)-eremophilen-12,8-olide

Structural Information

Molecular Formula
C20H26O6
SMILES
C/C=C(/C)\C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(=O)CC3)C)C)O)C
InChI
InChI=1S/C20H26O6/c1-6-10(2)17(22)25-16-15-11(3)18(23)26-20(15,24)9-13-7-8-14(21)12(4)19(13,16)5/h6,12-13,16,24H,7-9H2,1-5H3/b10-6-
InChIKey
WKMBTXJFBQEZHO-POHAHGRESA-N
Compound name
(9a-hydroxy-3,4a,5-trimethyl-2,6-dioxo-4,5,7,8,8a,9-hexahydrobenzo[f][1]benzofuran-4-yl) (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.17294 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.180216 180.1
[M+Na]+ 385.162158 187.6
[M-H]- 361.165664 184.2
[M+NH4]+ 380.206763 199.1
[M+K]+ 401.136098 185.5
[M+H-H2O]+ 345.170200 177.0
[M+HCOO]- 407.171141 191.1
[M+CH3COO]- 421.186791 215.9
[M+Na-2H]- 383.147606 179.5
[M]+ 362.17239142 181.6
[M]- 362.17348858 181.6
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.