PubChemLite - Ganoderiol d (C30H48O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H48O5/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/h18-19,22,24,31,34-35H,8-17H2,1-7H3

InChIKey

NAETYGPWGSNZTO-UHFFFAOYSA-N

Compound name

4,4,10,13,14-pentamethyl-17-(5,6,7-trihydroxy-6-methylheptan-2-yl)-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione

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]+	489.35748	220.5
[M+Na]+	511.33942	223.9
[M-H]-	487.34292	219.7
[M+NH4]+	506.38402	238.6
[M+K]+	527.31336	218.9
[M+H-H2O]+	471.34746	217.5
[M+HCOO]-	533.34840	219.9
[M+CH3COO]-	547.36405	239.3
[M+Na-2H]-	509.32487	218.2
[M]+	488.34965	217.7
[M]-	488.35075	217.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.35748

220.5

[M+Na]+

511.33942

223.9

[M-H]-

487.34292

219.7

[M+NH4]+

506.38402

238.6

[M+K]+

527.31336

218.9

[M+H-H2O]+

471.34746

217.5

[M+HCOO]-

533.34840

219.9

[M+CH3COO]-

547.36405

239.3

[M+Na-2H]-

509.32487

218.2

[M]+

488.34965

217.7

[M]-

488.35075

217.7

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

Ganoderiol d

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe