CID 3011492

[(2r,3s,4s,5r,6r)-2,5-diacetoxy-6-(9h-fluoren-9-yloxy)-3-isopropenyloxy-tetrahydropyran-4-yl] acetate

Structural Information

Molecular Formula
C27H28O9
SMILES
CC(=C)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1OC(=O)C)OC2C3=CC=CC=C3C4=CC=CC=C24)OC(=O)C)OC(=O)C
InChI
InChI=1S/C27H28O9/c1-14(2)31-24-23(32-15(3)28)25(33-16(4)29)27(36-26(24)34-17(5)30)35-22-20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,22-27H,1H2,2-5H3/t23-,24-,25+,26-,27+/m0/s1
InChIKey
HMHSXHXQUGNHAS-UIPNDDLNSA-N
Compound name
[(2R,3S,4S,5R,6R)-2,5-diacetyloxy-6-(9H-fluoren-9-yloxy)-3-prop-1-en-2-yloxyoxan-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

496.17334 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.18062 214.0
[M+Na]+ 519.16256 217.7
[M-H]- 495.16606 222.2
[M+NH4]+ 514.20716 222.6
[M+K]+ 535.13650 218.4
[M+H-H2O]+ 479.17060 206.2
[M+HCOO]- 541.17154 226.6
[M+CH3COO]- 555.18719 242.9
[M+Na-2H]- 517.14801 209.4
[M]+ 496.17279 221.7
[M]- 496.17389 221.7
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.