CID 131751226

(3b,6b,8b,12a)-8,12-epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol

Structural Information

Molecular Formula
C22H34O6
SMILES
C/C=C(\C)/C(=O)OC1C2=C(C(OC2(CC3C1(C(C(CC3)O)C)C)OC)OC)C
InChI
InChI=1S/C22H34O6/c1-8-12(2)19(24)27-18-17-13(3)20(25-6)28-22(17,26-7)11-15-9-10-16(23)14(4)21(15,18)5/h8,14-16,18,20,23H,9-11H2,1-7H3/b12-8+
InChIKey
MEKWGZJWKCYLQM-XYOKQWHBSA-N
Compound name
(6-hydroxy-2,9a-dimethoxy-3,4a,5-trimethyl-2,4,5,6,7,8,8a,9-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

394.23553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24281 193.3
[M+Na]+ 417.22475 200.4
[M+NH4]+ 412.26935 201.5
[M+K]+ 433.19869 194.9
[M-H]- 393.22825 193.7
[M+Na-2H]- 415.21020 192.8
[M]+ 394.23498 194.4
[M]- 394.23608 194.4
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.