PubChemLite - Lanosterol (C30H50O)

Structural Information

Molecular Formula

SMILES

C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C

InChI

InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1

InChIKey

CAHGCLMLTWQZNJ-BQNIITSRSA-N

Compound name

(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

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]+	427.39345	212.0
[M+Na]+	449.37539	219.0
[M+NH4]+	444.41999	225.9
[M+K]+	465.34933	205.4
[M-H]-	425.37889	214.1
[M+Na-2H]-	447.36084	214.4
[M]+	426.38562	214.1
[M]-	426.38672	214.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.39345

212.0

[M+Na]+

449.37539

219.0

[M+NH4]+

444.41999

225.9

[M+K]+

465.34933

205.4

[M-H]-

425.37889

214.1

[M+Na-2H]-

447.36084

214.4

[M]+

426.38562

214.1

[M]-

426.38672

214.1

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

Lanosterol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe