PubChemLite - Ganodermalactone f (C30H38O5)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@H]2CC[C@@]3([C@@]2(CCC4=C3CC[C@@H]5C(=C4)C=CC(=O)OC5(C)C)CO[C@]16CC=C(C(=O)O6)C)C

InChI

InChI=1S/C30H38O5/c1-18-10-15-30(35-26(18)32)19(2)22-12-13-28(5)24-8-7-23-20(6-9-25(31)34-27(23,3)4)16-21(24)11-14-29(22,28)17-33-30/h6,9-10,16,19,22-23H,7-8,11-15,17H2,1-5H3/t19-,22+,23+,28-,29-,30-/m0/s1

InChIKey

LFZXQYCTUJQBQF-HHGVHUTBSA-N

Compound name

(2S,2'S,5'R,6'S,10'S,21'R)-2',5,6',20',20'-pentamethylspiro[3H-pyran-2,7'-8,19-dioxapentacyclo[11.10.0.02,10.05,10.015,21]tricosa-1(13),14,16-triene]-6,18'-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]+	479.27918	210.6
[M+Na]+	501.26112	219.5
[M-H]-	477.26462	222.1
[M+NH4]+	496.30572	225.0
[M+K]+	517.23506	213.9
[M+H-H2O]+	461.26916	204.6
[M+HCOO]-	523.27010	214.7
[M+CH3COO]-	537.28575	217.2
[M+Na-2H]-	499.24657	210.1
[M]+	478.27135	205.6
[M]-	478.27245	205.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.27918

210.6

[M+Na]+

501.26112

219.5

[M-H]-

477.26462

222.1

[M+NH4]+

496.30572

225.0

[M+K]+

517.23506

213.9

[M+H-H2O]+

461.26916

204.6

[M+HCOO]-

523.27010

214.7

[M+CH3COO]-

537.28575

217.2

[M+Na-2H]-

499.24657

210.1

[M]+

478.27135

205.6

[M]-

478.27245

205.6

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

Ganodermalactone f

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe