CID 85161713

7,8-dihydro-3b,6a-dihydroxy-alpha-ionol 9-glucoside

Structural Information

Molecular Formula
C19H34O8
SMILES
CC1=CC(CC(C1(CCC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O
InChI
InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11-17,20-25H,5-6,8-9H2,1-4H3
InChIKey
PKDTXFWHZWYNAH-UHFFFAOYSA-N
Compound name
2-[4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.22537 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.23265 191.1
[M+Na]+ 413.21459 195.1
[M-H]- 389.21809 190.0
[M+NH4]+ 408.25919 201.8
[M+K]+ 429.18853 194.3
[M+H-H2O]+ 373.22263 187.1
[M+HCOO]- 435.22357 196.7
[M+CH3COO]- 449.23922 212.5
[M+Na-2H]- 411.20004 188.3
[M]+ 390.22482 189.9
[M]- 390.22592 189.9
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.