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 247.8
[M+Na]+ 587.39182 246.2
[M-H]- 563.39532 248.2
[M+NH4]+ 582.43642 249.7
[M+K]+ 603.36576 245.1
[M+H-H2O]+ 547.39986 239.8
[M+HCOO]- 609.40080 248.0
[M+CH3COO]- 623.41645 255.2
[M+Na-2H]- 585.37727 238.1
[M]+ 564.40205 250.6
[M]- 564.40315 250.6
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.