CID 131751345

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

Structural Information

Molecular Formula
C20H28O5
SMILES
C/C=C(/C)\C(=O)OC1C2=C(C(=O)OC2CC3C1(C(C(CC3)O)C)C)C
InChI
InChI=1S/C20H28O5/c1-6-10(2)18(22)25-17-16-11(3)19(23)24-15(16)9-13-7-8-14(21)12(4)20(13,17)5/h6,12-15,17,21H,7-9H2,1-5H3/b10-6-
InChIKey
VHVVIDFLXPOQAK-POHAHGRESA-N
Compound name
(6-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-4-yl) (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.19366 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20094 181.7
[M+Na]+ 371.18288 188.0
[M-H]- 347.18638 185.5
[M+NH4]+ 366.22748 199.4
[M+K]+ 387.15682 185.5
[M+H-H2O]+ 331.19092 177.7
[M+HCOO]- 393.19186 192.4
[M+CH3COO]- 407.20751 214.6
[M+Na-2H]- 369.16833 179.0
[M]+ 348.19311 181.8
[M]- 348.19421 181.8
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.