PubChemLite - Priverogenin a (C30H48O4)

Structural Information

Molecular Formula

SMILES

CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)C=O)O)C)C)(C)C)O)C)C

InChI

InChI=1S/C30H48O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,17,19-24,32-34H,9-16H2,1-7H3

InChIKey

QBWHAELJLKYXDB-UHFFFAOYSA-N

Compound name

4,5,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde

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	212.9
[M+Na]+	495.34448	219.9
[M+NH4]+	490.38908	228.1
[M+K]+	511.31842	203.1
[M-H]-	471.34798	214.5
[M+Na-2H]-	493.32993	216.8
[M]+	472.35471	215.2
[M]-	472.35581	215.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.36254

212.9

[M+Na]+

495.34448

219.9

[M+NH4]+

490.38908

228.1

[M+K]+

511.31842

203.1

[M-H]-

471.34798

214.5

[M+Na-2H]-

493.32993

216.8

[M]+

472.35471

215.2

[M]-

472.35581

215.2

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

Priverogenin a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe