PubChemLite - 154396-73-3 (C35H56O10)

Structural Information

Molecular Formula

SMILES

CCC1C(C=CC(CC(CC(CC(CC(CC(CC(C(C(CC=CC=CC=CC=CC=CC(=O)O1)O)C)O)O)O)O)O)O)O)C

InChI

InChI=1S/C35H56O10/c1-4-34-24(2)16-17-26(36)18-27(37)19-28(38)20-29(39)21-30(40)22-31(41)23-33(43)25(3)32(42)14-12-10-8-6-5-7-9-11-13-15-35(44)45-34/h5-13,15-17,24-34,36-43H,4,14,18-23H2,1-3H3

InChIKey

WXZBVOYYWCPWLJ-UHFFFAOYSA-N

Compound name

32-ethyl-14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-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]+	637.39458	250.0
[M+Na]+	659.37652	248.1
[M-H]-	635.38002	247.3
[M+NH4]+	654.42112	241.2
[M+K]+	675.35046	246.7
[M+H-H2O]+	619.38456	248.6
[M+HCOO]-	681.38550	247.2
[M+CH3COO]-	695.40115	240.5
[M+Na-2H]-	657.36197	236.8
[M]+	636.38675	236.0
[M]-	636.38785	236.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

637.39458

250.0

[M+Na]+

659.37652

248.1

[M-H]-

635.38002

247.3

[M+NH4]+

654.42112

241.2

[M+K]+

675.35046

246.7

[M+H-H2O]+

619.38456

248.6

[M+HCOO]-

681.38550

247.2

[M+CH3COO]-

695.40115

240.5

[M+Na-2H]-

657.36197

236.8

[M]+

636.38675

236.0

[M]-

636.38785

236.0

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

154396-73-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe