PubChemLite - Viridenomycin (C34H37NO6)

Structural Information

Molecular Formula

SMILES

C/C/1=C\C=C\C=C\C=C/CC(NC(=O)/C=C\C=C/C=C/C=C/[C@]2([C@@H]([C@H](C(=C2C(=O)O1)O)OC)O)C)C3=CC=CC=C3

InChI

InChI=1S/C34H37NO6/c1-25-19-13-8-4-5-9-16-22-27(26-20-14-12-15-21-26)35-28(36)23-17-10-6-7-11-18-24-34(2)29(33(39)41-25)30(37)31(40-3)32(34)38/h4-21,23-24,27,31-32,37-38H,22H2,1-3H3,(H,35,36)/b5-4+,10-6-,11-7+,13-8+,16-9-,23-17-,24-18+,25-19+/t27?,31-,32+,34+/m0/s1

InChIKey

GWYPHKYSRIAIBU-KGZNJIQESA-N

Compound name

(4E,6E,8E,10Z,16Z,18Z,20E,22E,24R,25S,26R)-25,27-dihydroxy-26-methoxy-4,24-dimethyl-13-phenyl-3-oxa-14-azabicyclo[22.3.0]heptacosa-1(27),4,6,8,10,16,18,20,22-nonaene-2,15-dione

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]+	556.26938	226.8
[M+Na]+	578.25132	239.9
[M+NH4]+	573.29592	231.2
[M+K]+	594.22526	233.1
[M-H]-	554.25482	233.7
[M+Na-2H]-	576.23677	235.2
[M]+	555.26155	230.4
[M]-	555.26265	230.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

556.26938

226.8

[M+Na]+

578.25132

239.9

[M+NH4]+

573.29592

231.2

[M+K]+

594.22526

233.1

[M-H]-

554.25482

233.7

[M+Na-2H]-

576.23677

235.2

[M]+

555.26155

230.4

[M]-

555.26265

230.4

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

Viridenomycin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe