PubChemLite - Viridicatumtoxin (C30H31NO10)

Structural Information

Molecular Formula

SMILES

CC1=CCCC([C@@]12CC3=C4C2=C(C=C(C4=C(C5=C3[C@@H]([C@]6(CC(=O)C(=C([C@]6(C5=O)O)O)C(=O)N)O)O)O)O)OC)(C)C

InChI

InChI=1S/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32,34-36,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)/t23-,28-,29-,30+/m0/s1

InChIKey

FNSQKFOXORBCCC-WBWZXODPSA-N

Compound name

(3'S,4'S,6S,9'S)-3',4',8',9',12',14'-hexahydroxy-16'-methoxy-1,5,5-trimethyl-6',10'-dioxospiro[cyclohexene-6,18'-pentacyclo[11.6.1.02,11.04,9.017,20]icosa-1(20),2(11),7,12,14,16-hexaene]-7'-carboxamide

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]+	566.20208	220.6
[M+Na]+	588.18402	227.8
[M+NH4]+	583.22862	228.9
[M+K]+	604.15796	228.1
[M-H]-	564.18752	219.7
[M+Na-2H]-	586.16947	235.4
[M]+	565.19425	221.5
[M]-	565.19535	221.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

566.20208

220.6

[M+Na]+

588.18402

227.8

[M+NH4]+

583.22862

228.9

[M+K]+

604.15796

228.1

[M-H]-

564.18752

219.7

[M+Na-2H]-

586.16947

235.4

[M]+

565.19425

221.5

[M]-

565.19535

221.5

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

Viridicatumtoxin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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