Ganoderiol b (C30H46O4)

Structural Information

Molecular Formula

SMILES

C[C@H](CCC=C(CO)CO)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O

InChI

InChI=1S/C30H46O4/c1-19(8-7-9-20(17-31)18-32)23-16-26(34)30(6)22-10-11-24-27(2,3)25(33)13-14-28(24,4)21(22)12-15-29(23,30)5/h9-10,12,19,23-24,26,31-32,34H,7-8,11,13-18H2,1-6H3/t19-,23-,24+,26+,28-,29-,30-/m1/s1

InChIKey

SZCAPUAJXOKPIR-AHHFHQBHSA-N

Compound name

(5R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-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]+	471.346876	218.1
[M+Na]+	493.328818	222.5
[M-H]-	469.332324	217.9
[M+NH4]+	488.373423	237.2
[M+K]+	509.302758	215.6
[M+H-H2O]+	453.336860	213.6
[M+HCOO]-	515.337801	220.6
[M+CH3COO]-	529.353451	235.5
[M+Na-2H]-	491.314266	214.2
[M]+	470.33905142	215.3
[M]-	470.34014858	215.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.346876

218.1

[M+Na]+

493.328818

222.5

[M-H]-

469.332324

217.9

[M+NH4]+

488.373423

237.2

[M+K]+

509.302758

215.6

[M+H-H2O]+

453.336860

213.6

[M+HCOO]-

515.337801

220.6

[M+CH3COO]-

529.353451

235.5

[M+Na-2H]-

491.314266

214.2

[M]+

470.33905142

215.3

[M]-

470.34014858

215.3

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

Ganoderiol b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe