PubChemLite - Ganoderiol h (C30H50O5)

Structural Information

Molecular Formula

SMILES

CC(CCC(C(C)(CO)O)O)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C

InChI

InChI=1S/C30H50O5/c1-18(8-9-24(34)30(7,35)17-31)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/h18-19,22-24,31,33-35H,8-17H2,1-7H3

InChIKey

TVLLLIMEZXBDHC-UHFFFAOYSA-N

Compound name

3-hydroxy-4,4,10,13,14-pentamethyl-17-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-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]+	491.37308	222.8
[M+Na]+	513.35502	225.6
[M-H]-	489.35852	220.7
[M+NH4]+	508.39962	240.3
[M+K]+	529.32896	220.6
[M+H-H2O]+	473.36306	220.3
[M+HCOO]-	535.36400	220.6
[M+CH3COO]-	549.37965	238.0
[M+Na-2H]-	511.34047	220.1
[M]+	490.36525	219.1
[M]-	490.36635	219.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.37308

222.8

[M+Na]+

513.35502

225.6

[M-H]-

489.35852

220.7

[M+NH4]+

508.39962

240.3

[M+K]+

529.32896

220.6

[M+H-H2O]+

473.36306

220.3

[M+HCOO]-

535.36400

220.6

[M+CH3COO]-

549.37965

238.0

[M+Na-2H]-

511.34047

220.1

[M]+

490.36525

219.1

[M]-

490.36635

219.1

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

Ganoderiol h

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe