CID 503993

Sessiliflorol b

Structural Information

Molecular Formula
C18H24O6
SMILES
CC(C)CC(=O)C1=C(C(=C2C(=C1O)CC(O2)C(C)(C)O)C(=O)C)O
InChI
InChI=1S/C18H24O6/c1-8(2)6-11(20)14-15(21)10-7-12(18(4,5)23)24-17(10)13(9(3)19)16(14)22/h8,12,21-23H,6-7H2,1-5H3
InChIKey
QWERLRSZNMMVGO-UHFFFAOYSA-N
Compound name
1-[7-acetyl-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1573 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16458 177.3
[M+Na]+ 359.14652 183.7
[M-H]- 335.15002 178.9
[M+NH4]+ 354.19112 191.0
[M+K]+ 375.12046 182.6
[M+H-H2O]+ 319.15456 173.4
[M+HCOO]- 381.15550 189.4
[M+CH3COO]- 395.17115 209.6
[M+Na-2H]- 357.13197 175.2
[M]+ 336.15675 180.6
[M]- 336.15785 180.6
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.