Lycophyll (C40H56O2)

Structural Information

Molecular Formula

SMILES

C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CC/C=C(/CO)\C)/C)/C)/C)\C)\C)/CC/C=C(/CO)\C

InChI

InChI=1S/C40H56O2/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3/b10-9+,19-11+,20-12+,23-13+,24-14+,33-17+,34-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+

InChIKey

JEVVKJMRZMXFBT-CCHFXWJWSA-N

Compound name

(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol

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]+	569.435316	234.1
[M+Na]+	591.417258	247.7
[M-H]-	567.420764	232.9
[M+NH4]+	586.461863	243.3
[M+K]+	607.391198	248.9
[M+H-H2O]+	551.425300	235.8
[M+HCOO]-	613.426241	230.5
[M+CH3COO]-	627.441891	253.9
[M+Na-2H]-	589.402706	225.9
[M]+	568.42749142	230.5
[M]-	568.42858858	230.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.435316

234.1

[M+Na]+

591.417258

247.7

[M-H]-

567.420764

232.9

[M+NH4]+

586.461863

243.3

[M+K]+

607.391198

248.9

[M+H-H2O]+

551.425300

235.8

[M+HCOO]-

613.426241

230.5

[M+CH3COO]-

627.441891

253.9

[M+Na-2H]-

589.402706

225.9

[M]+

568.42749142

230.5

[M]-

568.42858858

230.5

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

Lycophyll

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe