CID 78173026

(6beta,8betaoh)-6,8-dihydroxy-7(11)-eremophilen-12,8-olide

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1CCCC2C1(C(C3=C(C(=O)OC3(C2)O)C)O)C
InChI
InChI=1S/C15H22O4/c1-8-5-4-6-10-7-15(18)11(9(2)13(17)19-15)12(16)14(8,10)3/h8,10,12,16,18H,4-7H2,1-3H3
InChIKey
HOZOKRDCQVUMIA-UHFFFAOYSA-N
Compound name
4,9a-dihydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 159.1
[M+Na]+ 289.14102 167.5
[M-H]- 265.14452 162.4
[M+NH4]+ 284.18562 181.5
[M+K]+ 305.11496 164.7
[M+H-H2O]+ 249.14906 155.7
[M+HCOO]- 311.15000 171.5
[M+CH3COO]- 325.16565 194.3
[M+Na-2H]- 287.12647 162.4
[M]+ 266.15125 157.1
[M]- 266.15235 157.1
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.