CID 131801688

3b,6a-dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside]

Structural Information

Molecular Formula
C24H40O12
SMILES
CC1=CC(CC(C1(/C=C/C(C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)O)(C)C)O
InChI
InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13-21,25-32H,8-11H2,1-4H3/b6-5+
InChIKey
FCEJNLVNFSUDTK-AATRIKPKSA-N
Compound name
2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.25195 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.25923 211.3
[M+Na]+ 543.24117 212.9
[M+NH4]+ 538.28577 214.3
[M+K]+ 559.21511 212.1
[M-H]- 519.24467 209.8
[M+Na-2H]- 541.22662 209.5
[M]+ 520.25140 210.6
[M]- 520.25250 210.6
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.