CID 131752952

(s)-nerolidol 3-o-[a-l-rhamnopyranosyl-(1->4)-a-l-rhamnopyranosyl-(1->6)-b-d-glucopyranoside]

Structural Information

Molecular Formula
C33H56O14
SMILES
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(C)(CC/C=C(\C)/CCC=C(C)C)C=C)O)O)O)C)O)O)O
InChI
InChI=1S/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-27(40)24(37)22(35)20(45-32)15-42-30-28(41)25(38)29(19(6)44-30)46-31-26(39)23(36)21(34)18(5)43-31/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+
InChIKey
HIAIQDVRFUXFLS-GHRIWEEISA-N
Compound name
2-[4,5-dihydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

676.367 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.37428 246.6
[M+Na]+ 699.35622 246.2
[M+NH4]+ 694.40082 245.7
[M+K]+ 715.33016 249.8
[M-H]- 675.35972 238.7
[M+Na-2H]- 697.34167 264.6
[M]+ 676.36645 243.9
[M]- 676.36755 243.9
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.