CID 86577539

Ethoxy-tetramethoxy-dimethyl-[?]diol

Structural Information

Molecular Formula
C24H32O7
SMILES
CCO[C@@H]1[C@H]([C@H](CC2=CC(=C(C(=C2C3=C(C(=C(C=C13)O)OC)OC)OC)OC)O)C)C
InChI
InChI=1S/C24H32O7/c1-8-31-20-13(3)12(2)9-14-10-16(25)21(27-4)23(29-6)18(14)19-15(20)11-17(26)22(28-5)24(19)30-7/h10-13,20,25-26H,8-9H2,1-7H3/t12-,13-,20+/m0/s1
InChIKey
WREHUTHXMKWHHW-KQHSUYLTSA-N
Compound name
(8R,9S,10S)-8-ethoxy-3,4,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,14-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2148 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.22208 192.8
[M+Na]+ 455.20402 198.3
[M-H]- 431.20752 194.5
[M+NH4]+ 450.24862 198.1
[M+K]+ 471.17796 197.9
[M+H-H2O]+ 415.21206 188.0
[M+HCOO]- 477.21300 198.8
[M+CH3COO]- 491.22865 244.1
[M+Na-2H]- 453.18947 188.5
[M]+ 432.21425 196.6
[M]- 432.21535 196.6
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.