Priverogenin b (C30H50O4)

Structural Information

Molecular Formula

SMILES

CC1(CC2C34CCC5C6(CCC(C(C6CCC5(C3(CC(C2(CO4)C(C1)O)O)C)C)(C)C)O)C)C

InChI

InChI=1S/C30H50O4/c1-24(2)14-20-29(22(32)15-24)17-34-30(20)13-9-19-26(5)11-10-21(31)25(3,4)18(26)8-12-27(19,6)28(30,7)16-23(29)33/h18-23,31-33H,8-17H2,1-7H3

InChIKey

ZAWNYVMZQOGILA-UHFFFAOYSA-N

Compound name

4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-2,10,22-triol

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]+	475.37818	212.0
[M+Na]+	497.36012	218.1
[M-H]-	473.36362	214.3
[M+NH4]+	492.40472	235.6
[M+K]+	513.33406	212.3
[M+H-H2O]+	457.36816	202.6
[M+HCOO]-	519.36910	206.8
[M+CH3COO]-	533.38475	216.8
[M+Na-2H]-	495.34557	211.6
[M]+	474.37035	205.4
[M]-	474.37145	205.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.37818

212.0

[M+Na]+

497.36012

218.1

[M-H]-

473.36362

214.3

[M+NH4]+

492.40472

235.6

[M+K]+

513.33406

212.3

[M+H-H2O]+

457.36816

202.6

[M+HCOO]-

519.36910

206.8

[M+CH3COO]-

533.38475

216.8

[M+Na-2H]-

495.34557

211.6

[M]+

474.37035

205.4

[M]-

474.37145

205.4

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

Priverogenin b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe