PubChemLite - (-)-olivil (C20H24O7)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Adduct

m/z

Predicted CCS (Å²)

[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 (Å²) per adduct calculated using CCSbase.

(-)-olivil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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