PubChemLite - Epoxyganoderiol a (C30H48O4)

Structural Information

Molecular Formula

SMILES

CC(CCC1C(O1)(C)CO)C2CCC3(C2(CCC4=C3C(CC5C4(CCC(=O)C5(C)C)C)O)C)C

InChI

InChI=1S/C30H48O4/c1-18(8-9-24-30(7,17-31)34-24)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,21-22,24,31-32H,8-17H2,1-7H3

InChIKey

XRLVMZVXPMYCSF-UHFFFAOYSA-N

Compound name

7-hydroxy-17-[4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[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]+	473.36254	209.5
[M+Na]+	495.34448	219.0
[M+NH4]+	490.38908	223.9
[M+K]+	511.31842	207.6
[M-H]-	471.34798	220.6
[M+Na-2H]-	493.32993	216.1
[M]+	472.35471	216.0
[M]-	472.35581	216.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.36254

209.5

[M+Na]+

495.34448

219.0

[M+NH4]+

490.38908

223.9

[M+K]+

511.31842

207.6

[M-H]-

471.34798

220.6

[M+Na-2H]-

493.32993

216.1

[M]+

472.35471

216.0

[M]-

472.35581

216.0

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

Epoxyganoderiol a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe