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]+ 327.216596 174.7
[M+Na]+ 349.198538 182.6
[M-H]- 325.202044 179.1
[M+NH4]+ 344.243143 195.6
[M+K]+ 365.172478 181.3
[M+H-H2O]+ 309.206580 170.7
[M+HCOO]- 371.207521 187.5
[M+CH3COO]- 385.223171 209.8
[M+Na-2H]- 347.183986 176.7
[M]+ 326.20877142 178.1
[M]- 326.20986858 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.