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 259.0
[M+Na]+ 691.25722 263.7
[M-H]- 667.26072 253.9
[M+NH4]+ 686.30182 259.2
[M+K]+ 707.23116 255.9
[M+H-H2O]+ 651.26526 242.4
[M+HCOO]- 713.26620 260.6
[M+CH3COO]- 727.28185 264.1
[M+Na-2H]- 689.24267 273.3
[M]+ 668.26745 262.7
[M]- 668.26855 262.7
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.