PubChemLite - St 28:1;o;hex (C34H58O6)

Structural Information

Molecular Formula

SMILES

CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C

InChI

InChI=1S/C34H58O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h9,19-21,23-32,35-38H,7-8,10-18H2,1-6H3

InChIKey

FWNZEKQVBDXWKA-UHFFFAOYSA-N

Compound name

2-[[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-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]+	563.43062	240.4
[M+Na]+	585.41256	243.4
[M+NH4]+	580.45716	247.8
[M+K]+	601.38650	237.7
[M-H]-	561.41606	242.1
[M+Na-2H]-	583.39801	235.5
[M]+	562.42279	241.0
[M]-	562.42389	241.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

563.43062

240.4

[M+Na]+

585.41256

243.4

[M+NH4]+

580.45716

247.8

[M+K]+

601.38650

237.7

[M-H]-

561.41606

242.1

[M+Na-2H]-

583.39801

235.5

[M]+

562.42279

241.0

[M]-

562.42389

241.0

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

St 28:1;o;hex

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe