CID 131753076

3b,9b-dihydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide

Structural Information

Molecular Formula
C20H28O6
SMILES
C/C=C(\C)/C(=O)OC1C2=C(C(=O)OC2C(C3C1(C(C(CC3)O)C)C)O)C
InChI
InChI=1S/C20H28O6/c1-6-9(2)18(23)26-17-14-10(3)19(24)25-16(14)15(22)12-7-8-13(21)11(4)20(12,17)5/h6,11-13,15-17,21-22H,7-8H2,1-5H3/b9-6+
InChIKey
CEFVJFNDUOLSEQ-RMKNXTFCSA-N
Compound name
(6,9-dihydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-4-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1886 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19588 185.1
[M+Na]+ 387.17782 192.4
[M+NH4]+ 382.22242 191.5
[M+K]+ 403.15176 189.4
[M-H]- 363.18132 184.9
[M+Na-2H]- 385.16327 182.4
[M]+ 364.18805 185.7
[M]- 364.18915 185.7
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.