Ganoderol b (C30H48O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25-26,31-32H,8,10,12-13,15-19H2,1-7H3/b20-9+/t21-,22-,25+,26+,28-,29-,30+/m1/s1

InChIKey

AOXXVRDKZLRGTJ-AZIDVCJLSA-N

Compound name

(3S,5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol

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]+	441.372696	214.4
[M+Na]+	463.354638	218.4
[M-H]-	439.358144	215.3
[M+NH4]+	458.399243	235.3
[M+K]+	479.328578	211.0
[M+H-H2O]+	423.362680	208.7
[M+HCOO]-	485.363621	217.9
[M+CH3COO]-	499.379271	232.7
[M+Na-2H]-	461.340086	210.1
[M]+	440.36487142	210.3
[M]-	440.36596858	210.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.372696

214.4

[M+Na]+

463.354638

218.4

[M-H]-

439.358144

215.3

[M+NH4]+

458.399243

235.3

[M+K]+

479.328578

211.0

[M+H-H2O]+

423.362680

208.7

[M+HCOO]-

485.363621

217.9

[M+CH3COO]-

499.379271

232.7

[M+Na-2H]-

461.340086

210.1

[M]+

440.36487142

210.3

[M]-

440.36596858

210.3

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

Ganoderol b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe