Lanosta-7,9(11),24-triene-3,26,27-triol (C30H48O3)

Structural Information

Molecular Formula

SMILES

CC(CCC=C(CO)CO)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C

InChI

InChI=1S/C30H48O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25-26,31-33H,7-8,11-12,14-19H2,1-6H3

InChIKey

LIJZGBVDQCTWLG-UHFFFAOYSA-N

Compound name

2-[4-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)pentylidene]propane-1,3-diol

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]+	457.367626	218.3
[M+Na]+	479.349568	221.8
[M-H]-	455.353074	217.8
[M+NH4]+	474.394173	237.8
[M+K]+	495.323508	214.5
[M+H-H2O]+	439.357610	213.2
[M+HCOO]-	501.358551	220.4
[M+CH3COO]-	515.374201	232.7
[M+Na-2H]-	477.335016	214.1
[M]+	456.35980142	214.2
[M]-	456.36089858	214.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.367626

218.3

[M+Na]+

479.349568

221.8

[M-H]-

455.353074

217.8

[M+NH4]+

474.394173

237.8

[M+K]+

495.323508

214.5

[M+H-H2O]+

439.357610

213.2

[M+HCOO]-

501.358551

220.4

[M+CH3COO]-

515.374201

232.7

[M+Na-2H]-

477.335016

214.1

[M]+

456.35980142

214.2

[M]-

456.36089858

214.2

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

Lanosta-7,9(11),24-triene-3,26,27-triol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe