CID 586733

L-olivil

Structural Information

Molecular Formula
C20H24O7
SMILES
COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)O
InChI
InChI=1S/C20H24O7/c1-25-17-7-12(3-5-15(17)22)9-20(24)11-27-19(14(20)10-21)13-4-6-16(23)18(8-13)26-2/h3-8,14,19,21-24H,9-11H2,1-2H3
InChIKey
BVHIKUCXNBQDEM-UHFFFAOYSA-N
Compound name
5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

281
Patents

376.1522 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15948 185.6
[M+Na]+ 399.14142 192.5
[M-H]- 375.14492 191.7
[M+NH4]+ 394.18602 197.6
[M+K]+ 415.11536 190.1
[M+H-H2O]+ 359.14946 179.1
[M+HCOO]- 421.15040 201.4
[M+CH3COO]- 435.16605 209.3
[M+Na-2H]- 397.12687 185.5
[M]+ 376.15165 188.5
[M]- 376.15275 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe