CID 13476381

Ec 805-675-2

Structural Information

Molecular Formula
C33H56O7
SMILES
CC1=CC(=CC2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C33H56O7/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-16-33(6)17-15-25-19-26(18-24(5)31(25)40-33)38-32-30(37)29(36)28(35)27(20-34)39-32/h18-19,21-23,27-30,32,34-37H,7-17,20H2,1-6H3/t22-,23-,27-,28-,29+,30-,32-,33-/m1/s1
InChIKey
VDKKOBGKVRANCM-SGOZSYJUSA-N
Compound name
(2S,3R,4S,5S,6R)-2-[[(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.4026 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.40988 245.4
[M+Na]+ 587.39182 251.2
[M+NH4]+ 582.43642 249.0
[M+K]+ 603.36576 245.4
[M-H]- 563.39532 247.7
[M+Na-2H]- 585.37727 241.9
[M]+ 564.40205 246.7
[M]- 564.40315 246.7
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.