CID 78384665

(3beta,6beta)-furanoeremophilane-3,6-diol 6-acetate

Structural Information

Molecular Formula

C₁₇H₂₄O₄

SMILES

CC1C(CCC2C1(C(C3=C(C2)OC=C3C)OC(=O)C)C)O

InChI

InChI=1S/C17H24O4/c1-9-8-20-14-7-12-5-6-13(19)10(2)17(12,4)16(15(9)14)21-11(3)18/h8,10,12-13,16,19H,5-7H2,1-4H3

InChIKey

CXZIQFLLAXJLDS-UHFFFAOYSA-N

Compound name

(6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl) acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 292.16745 Da
Monoisotopic Mass: 2.7
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]+	293.174726	167.7
[M+Na]+	315.156668	175.3
[M-H]-	291.160174	172.2
[M+NH4]+	310.201273	187.8
[M+K]+	331.130608	173.2
[M+H-H2O]+	275.164710	163.2
[M+HCOO]-	337.165651	181.4
[M+CH3COO]-	351.181301	202.7
[M+Na-2H]-	313.142116	168.7
[M]+	292.16690142	168.4
[M]-	292.16799858	168.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.