Homofukinolide (C25H34O6)

Structural Information

Molecular Formula

SMILES

C/C=C(\C)/C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)/C(=C/C)/C)C)C

InChI

InChI=1S/C25H34O6/c1-8-14(3)21(26)30-18-11-10-16(5)24(7)13-25(17(6)12-29-23(25)28)20(19(18)24)31-22(27)15(4)9-2/h8-9,16,18-20H,6,10-13H2,1-5,7H3/b14-8+,15-9+

InChIKey

SRBBDMVRDLLMJD-VOMDNODZSA-N

Compound name

[7,7a-dimethyl-3-[(E)-2-methylbut-2-enoyl]oxy-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (E)-2-methylbut-2-enoate

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]+	431.242806	201.7
[M+Na]+	453.224748	206.1
[M-H]-	429.228254	207.4
[M+NH4]+	448.269353	219.1
[M+K]+	469.198688	203.5
[M+H-H2O]+	413.232790	199.6
[M+HCOO]-	475.233731	211.9
[M+CH3COO]-	489.249381	229.3
[M+Na-2H]-	451.210196	194.4
[M]+	430.23498142	202.2
[M]-	430.23607858	202.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

431.242806

201.7

[M+Na]+

453.224748

206.1

[M-H]-

429.228254

207.4

[M+NH4]+

448.269353

219.1

[M+K]+

469.198688

203.5

[M+H-H2O]+

413.232790

199.6

[M+HCOO]-

475.233731

211.9

[M+CH3COO]-

489.249381

229.3

[M+Na-2H]-

451.210196

194.4

[M]+

430.23498142

202.2

[M]-

430.23607858

202.2

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

Homofukinolide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe