CID 131751225

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

Structural Information

Molecular Formula
C18H30O5
SMILES
CC1C(CCC2C1(C(C3=C(C(OC3(C2)OC)OC)C)OC)C)O
InChI
InChI=1S/C18H30O5/c1-10-14-15(20-4)17(3)11(2)13(19)8-7-12(17)9-18(14,22-6)23-16(10)21-5/h11-13,15-16,19H,7-9H2,1-6H3
InChIKey
CLQUNRBWTPVVAG-UHFFFAOYSA-N
Compound name
2,4,9a-trimethoxy-3,4a,5-trimethyl-2,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.20932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21660 174.7
[M+Na]+ 349.19854 182.6
[M-H]- 325.20204 179.1
[M+NH4]+ 344.24314 195.6
[M+K]+ 365.17248 181.3
[M+H-H2O]+ 309.20658 170.7
[M+HCOO]- 371.20752 187.5
[M+CH3COO]- 385.22317 209.8
[M+Na-2H]- 347.18399 176.7
[M]+ 326.20877 178.1
[M]- 326.20987 178.1
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.