PubChemLite - 7,8-dihydrovomifoliol 9-[rhamnosyl-(1->6)-glucoside] (C25H42O12)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C)CCC3(C(=CC(=O)CC3(C)C)C)O)O)O)O)O)O)O

InChI

InChI=1S/C25H42O12/c1-11-8-14(26)9-24(4,5)25(11,33)7-6-12(2)35-23-21(32)19(30)17(28)15(37-23)10-34-22-20(31)18(29)16(27)13(3)36-22/h8,12-13,15-23,27-33H,6-7,9-10H2,1-5H3

InChIKey

JDTFCGGOAXAFRS-UHFFFAOYSA-N

Compound name

4-hydroxy-3,5,5-trimethyl-4-[3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

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]+	535.27492	223.4
[M+Na]+	557.25686	225.0
[M-H]-	533.26036	224.2
[M+NH4]+	552.30146	225.8
[M+K]+	573.23080	227.6
[M+H-H2O]+	517.26490	218.0
[M+HCOO]-	579.26584	222.0
[M+CH3COO]-	593.28149	243.1
[M+Na-2H]-	555.24231	217.3
[M]+	534.26709	223.9
[M]-	534.26819	223.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.27492

223.4

[M+Na]+

557.25686

225.0

[M-H]-

533.26036

224.2

[M+NH4]+

552.30146

225.8

[M+K]+

573.23080

227.6

[M+H-H2O]+

517.26490

218.0

[M+HCOO]-

579.26584

222.0

[M+CH3COO]-

593.28149

243.1

[M+Na-2H]-

555.24231

217.3

[M]+

534.26709

223.9

[M]-

534.26819

223.9

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

7,8-dihydrovomifoliol 9-[rhamnosyl-(1->6)-glucoside]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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