PubChemLite - Collettiside i (C33H52O8)

Structural Information

Molecular Formula

SMILES

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1

InChI

InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3

InChIKey

WXMARHKAXWRNDM-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxane-3,4,5-triol

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]+	577.37348	237.6
[M+Na]+	599.35542	241.5
[M+NH4]+	594.40002	247.4
[M+K]+	615.32936	236.2
[M-H]-	575.35892	243.3
[M+Na-2H]-	597.34087	232.2
[M]+	576.36565	239.8
[M]-	576.36675	239.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.37348

237.6

[M+Na]+

599.35542

241.5

[M+NH4]+

594.40002

247.4

[M+K]+

615.32936

236.2

[M-H]-

575.35892

243.3

[M+Na-2H]-

597.34087

232.2

[M]+

576.36565

239.8

[M]-

576.36675

239.8

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

Collettiside i

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe