CID 131752005

Myricanol 5-[arabinosyl-(1->6)-glucoside]

Structural Information

Molecular Formula
C32H44O15
SMILES
COC1=C2C=C(CCCCC(CCC3=CC2=C(C=C3)O)O)C(=C1OC)OC4C(C(C(C(O4)COC5C(C(C(O5)(CO)O)O)O)O)O)O
InChI
InChI=1S/C32H44O15/c1-42-27-19-12-16(5-3-4-6-17(34)9-7-15-8-10-20(35)18(19)11-15)26(28(27)43-2)46-31-24(38)23(37)22(36)21(45-31)13-44-30-25(39)29(40)32(41,14-33)47-30/h8,10-12,17,21-25,29-31,33-41H,3-7,9,13-14H2,1-2H3
InChIKey
XNUIYJUJZLMXMW-UHFFFAOYSA-N
Compound name
2-[(11,17-dihydroxy-3,4-dimethoxy-5-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl)oxy]-6-[[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

668.268 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.27528 251.5
[M+Na]+ 691.25722 252.3
[M+NH4]+ 686.30182 251.2
[M+K]+ 707.23116 256.3
[M-H]- 667.26072 244.9
[M+Na-2H]- 689.24267 263.1
[M]+ 668.26745 249.5
[M]- 668.26855 249.5
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.