CID 85277603

Myricatomentoside ii

Structural Information

Molecular Formula
C27H34O11
SMILES
COC1=C2C=C(CCCCC(=O)C(CC3=CC2=C(C=C3)O)O)C(=C1OC)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C27H34O11/c1-35-25-16-11-14(5-3-4-6-18(30)19(31)10-13-7-8-17(29)15(16)9-13)24(26(25)36-2)38-27-23(34)22(33)21(32)20(12-28)37-27/h7-9,11,19-23,27-29,31-34H,3-6,10,12H2,1-2H3
InChIKey
BSILZSYJTIBPFN-UHFFFAOYSA-N
Compound name
3,8-dihydroxy-16,17-dimethoxy-15-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.2101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.21738 218.6
[M+Na]+ 557.19932 226.7
[M+NH4]+ 552.24392 220.1
[M+K]+ 573.17326 224.6
[M-H]- 533.20282 218.7
[M+Na-2H]- 555.18477 214.2
[M]+ 534.20955 219.0
[M]- 534.21065 219.0
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.