PubChemLite - Epoxyganoderiol b (C30H46O3)

Structural Information

Molecular Formula

SMILES

CC(CCC1C(O1)(C)CO)C2CCC3(C2(CC=C4C3=CCC5C4(CCC(=O)C5(C)C)C)C)C

InChI

InChI=1S/C30H46O3/c1-19(8-11-25-30(7,18-31)33-25)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31H,8,10-12,14-18H2,1-7H3

InChIKey

XOBQAKLXNUVCPN-UHFFFAOYSA-N

Compound name

17-[4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-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]+	455.35198	207.7
[M+Na]+	477.33392	215.2
[M-H]-	453.33742	214.5
[M+NH4]+	472.37852	224.2
[M+K]+	493.30786	213.0
[M+H-H2O]+	437.34196	203.1
[M+HCOO]-	499.34290	211.1
[M+CH3COO]-	513.35855	215.0
[M+Na-2H]-	475.31937	206.9
[M]+	454.34415	211.1
[M]-	454.34525	211.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.35198

207.7

[M+Na]+

477.33392

215.2

[M-H]-

453.33742

214.5

[M+NH4]+

472.37852

224.2

[M+K]+

493.30786

213.0

[M+H-H2O]+

437.34196

203.1

[M+HCOO]-

499.34290

211.1

[M+CH3COO]-

513.35855

215.0

[M+Na-2H]-

475.31937

206.9

[M]+

454.34415

211.1

[M]-

454.34525

211.1

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

Epoxyganoderiol b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe