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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.159076	159.1
[M+Na]+	289.141018	167.5
[M-H]-	265.144524	162.4
[M+NH4]+	284.185623	181.5
[M+K]+	305.114958	164.7
[M+H-H2O]+	249.149060	155.7
[M+HCOO]-	311.150001	171.5
[M+CH3COO]-	325.165651	194.3
[M+Na-2H]-	287.126466	162.4
[M]+	266.15125142	157.1
[M]-	266.15234858	157.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.