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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17983 174.1
[M+Na]+ 335.16177 181.7
[M-H]- 311.16527 179.3
[M+NH4]+ 330.20637 194.0
[M+K]+ 351.13571 177.5
[M+H-H2O]+ 295.16981 168.3
[M+HCOO]- 357.17075 186.2
[M+CH3COO]- 371.18640 184.7
[M+Na-2H]- 333.14722 175.6
[M]+ 312.17200 172.9
[M]- 312.17310 172.9
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.