PubChemLite - Ganodermaside b (C28H40O2)

Structural Information

Molecular Formula

SMILES

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1C[C@@H](C2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@]12C)C)O

InChI

InChI=1S/C28H40O2/c1-17(2)18(3)7-8-19(4)24-16-25(30)26-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h7-10,15,17-19,23-25,30H,11-14,16H2,1-6H3/b8-7+/t18-,19+,23-,24+,25-,27-,28+/m0/s1

InChIKey

MMVSNLKSAHIETF-HAPVDJJQSA-N

Compound name

(9R,10R,13R,15S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-15-hydroxy-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

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]+	409.31011	206.4
[M+Na]+	431.29205	210.1
[M-H]-	407.29555	208.9
[M+NH4]+	426.33665	225.2
[M+K]+	447.26599	203.4
[M+H-H2O]+	391.30009	200.3
[M+HCOO]-	453.30103	212.8
[M+CH3COO]-	467.31668	229.7
[M+Na-2H]-	429.27750	200.7
[M]+	408.30228	202.4
[M]-	408.30338	202.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.31011

206.4

[M+Na]+

431.29205

210.1

[M-H]-

407.29555

208.9

[M+NH4]+

426.33665

225.2

[M+K]+

447.26599

203.4

[M+H-H2O]+

391.30009

200.3

[M+HCOO]-

453.30103

212.8

[M+CH3COO]-

467.31668

229.7

[M+Na-2H]-

429.27750

200.7

[M]+

408.30228

202.4

[M]-

408.30338

202.4

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

Ganodermaside b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe