CID 5316262

(+)-cycloolivil

Structural Information

Molecular Formula
C20H24O7
SMILES
COC1=C(C=C2[C@@H]([C@H]([C@@](CC2=C1)(CO)O)CO)C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C20H24O7/c1-26-17-5-11(3-4-15(17)23)19-13-7-16(24)18(27-2)6-12(13)8-20(25,10-22)14(19)9-21/h3-7,14,19,21-25H,8-10H2,1-2H3/t14-,19+,20-/m1/s1
InChIKey
KCIQZCNOUZCRGH-VOBQZIQPSA-N
Compound name
(2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

30
Patents

376.1522 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.159476 186.9
[M+Na]+ 399.141418 194.1
[M-H]- 375.144924 188.4
[M+NH4]+ 394.186023 199.0
[M+K]+ 415.115358 190.4
[M+H-H2O]+ 359.149460 180.1
[M+HCOO]- 421.150401 199.3
[M+CH3COO]- 435.166051 210.7
[M+Na-2H]- 397.126866 187.8
[M]+ 376.15165142 188.4
[M]- 376.15274858 188.4
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.