CID 16745401

(3s,5r,6s,7e,9x)-7-megastigmene-3,6,9-triol 9-glucoside

Structural Information

Molecular Formula
C19H34O8
SMILES
CC1CC(CC(C1(/C=C/C(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/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+
InChIKey
MRPDHXXPDCVBPQ-AATRIKPKSA-N
Compound name
2-[(E)-4-(1,4-dihydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

390.22537 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.23265 189.7
[M+Na]+ 413.21459 194.6
[M+NH4]+ 408.25919 194.6
[M+K]+ 429.18853 190.5
[M-H]- 389.21809 188.3
[M+Na-2H]- 411.20004 188.9
[M]+ 390.22482 189.6
[M]- 390.22592 189.6
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.