CID 131752652

Argenteane

Structural Information

Molecular Formula
C40H46O8
SMILES
CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC(=C(C(=C3)OC)O)C4=C(C(=CC(=C4)CC(C)C(C)CC5=CC6=C(C=C5)OCO6)OC)O
InChI
InChI=1S/C40H46O8/c1-23(11-27-7-9-33-35(17-27)47-21-45-33)25(3)13-29-15-31(39(41)37(19-29)43-5)32-16-30(20-38(44-6)40(32)42)14-26(4)24(2)12-28-8-10-34-36(18-28)48-22-46-34/h7-10,15-20,23-26,41-42H,11-14,21-22H2,1-6H3
InChIKey
CZIXJKXAQLINMJ-UHFFFAOYSA-N
Compound name
4-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-[5-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

654.3193 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 655.32658 262.3
[M+Na]+ 677.30852 274.1
[M+NH4]+ 672.35312 266.1
[M+K]+ 693.28246 272.7
[M-H]- 653.31202 273.3
[M+Na-2H]- 675.29397 262.3
[M]+ 654.31875 267.2
[M]- 654.31985 267.2
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

patents stripe