CID 173273

Triptophenolide

Structural Information

Molecular Formula

C₂₀H₂₄O₃

SMILES

CC(C)C1=C(C2=C(C=C1)[C@]3(CCC4=C([C@@H]3CC2)COC4=O)C)O

InChI

InChI=1S/C20H24O3/c1-11(2)12-4-6-16-14(18(12)21)5-7-17-15-10-23-19(22)13(15)8-9-20(16,17)3/h4,6,11,17,21H,5,7-10H2,1-3H3/t17-,20+/m0/s1

InChIKey

KPXIBWGPZSPABK-FXAWDEMLSA-N

Compound name

(3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 18
References: 204
Patents: 312.17255 Da
Monoisotopic Mass: 4.0
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]+	313.179826	174.1
[M+Na]+	335.161768	181.7
[M-H]-	311.165274	179.3
[M+NH4]+	330.206373	194.0
[M+K]+	351.135708	177.5
[M+H-H2O]+	295.169810	168.3
[M+HCOO]-	357.170751	186.2
[M+CH3COO]-	371.186401	184.7
[M+Na-2H]-	333.147216	175.6
[M]+	312.17200142	172.9
[M]-	312.17309858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.