CID 5273570

(-)-olivil

Structural Information

Molecular Formula
C20H24O7
SMILES
COC1=C(C=CC(=C1)C[C@]2(CO[C@@H]([C@H]2CO)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/t14-,19-,20-/m1/s1
InChIKey
BVHIKUCXNBQDEM-JSNMRZPZSA-N
Compound name
(3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

309
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.