PubChemLite - 5alpha-lanosta-7,9(11)-diene-3beta,24,25,26-tetraol (C30H50O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H50O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23-25,31-34H,8,10-12,14-18H2,1-7H3

InChIKey

VMEFPSOTFFVAQJ-UHFFFAOYSA-N

Compound name

6-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptane-1,2,3-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	214.4
[M+Na]+	497.36012	218.8
[M+NH4]+	492.40472	225.6
[M+K]+	513.33406	209.1
[M-H]-	473.36362	213.2
[M+Na-2H]-	495.34557	215.9
[M]+	474.37035	215.0
[M]-	474.37145	215.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.37818

214.4

[M+Na]+

497.36012

218.8

[M+NH4]+

492.40472

225.6

[M+K]+

513.33406

209.1

[M-H]-

473.36362

213.2

[M+Na-2H]-

495.34557

215.9

[M]+

474.37035

215.0

[M]-

474.37145

215.0

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

5alpha-lanosta-7,9(11)-diene-3beta,24,25,26-tetraol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe