PubChemLite - 3,24-dihydroxy-12-oleanen-22-one (C30H48O3)

Structural Information

Molecular Formula

SMILES

CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)O)C)C

InChI

InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3

InChIKey

FNRBOAGVUNHDIL-UHFFFAOYSA-N

Compound name

10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-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]+	457.36763	211.3
[M+Na]+	479.34957	217.5
[M-H]-	455.35307	212.7
[M+NH4]+	474.39417	234.0
[M+K]+	495.32351	210.9
[M+H-H2O]+	439.35761	201.4
[M+HCOO]-	501.35855	209.7
[M+CH3COO]-	515.37420	216.4
[M+Na-2H]-	477.33502	211.7
[M]+	456.35980	204.5
[M]-	456.36090	204.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.36763

211.3

[M+Na]+

479.34957

217.5

[M-H]-

455.35307

212.7

[M+NH4]+

474.39417

234.0

[M+K]+

495.32351

210.9

[M+H-H2O]+

439.35761

201.4

[M+HCOO]-

501.35855

209.7

[M+CH3COO]-

515.37420

216.4

[M+Na-2H]-

477.33502

211.7

[M]+

456.35980

204.5

[M]-

456.36090

204.5

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

3,24-dihydroxy-12-oleanen-22-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe