CID 90474944

Dtxsid801337783

Structural Information

Molecular Formula
C22H26O6
SMILES
C/C(=C(/O)\[C@H](O)[C@@H](O)[C@H](O)[C@H](O)/C(=C(/C1=CC=CC=C1)\C)/O)/C2=CC=CC=C2
InChI
InChI=1S/C22H26O6/c1-13(15-9-5-3-6-10-15)17(23)19(25)21(27)22(28)20(26)18(24)14(2)16-11-7-4-8-12-16/h3-12,19-28H,1-2H3/b17-13-,18-14-/t19-,20+,21-,22-/m1/s1
InChIKey
WOOQSKAMMPIQIW-HCXPZJNHSA-N
Compound name
(2Z,4S,5S,6S,7R,8Z)-2,9-diphenyldeca-2,8-diene-3,4,5,6,7,8-hexol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.17294 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.180216 191.9
[M+Na]+ 409.162158 190.1
[M-H]- 385.165664 189.0
[M+NH4]+ 404.206763 197.5
[M+K]+ 425.136098 187.5
[M+H-H2O]+ 369.170200 185.0
[M+HCOO]- 431.171141 198.2
[M+CH3COO]- 445.186791 209.7
[M+Na-2H]- 407.147606 183.8
[M]+ 386.17239142 185.0
[M]- 386.17348858 185.0
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.