Lanosterol
Athanor · official
C30H50O · 426.7 g/mol
IUPAC name: (3S,5R,10S,13S,14S,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
Also called sterol precursor, cholesterol precursor
Names and identifiers
- IUPAC name
- (3S,5R,10S,13S,14S,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
- Synonyms
- sterol precursor, cholesterol precursor
- Molecular formula
- C30H50O
- Empirical formula
- C30H50O
- Molecular weight
- 426.7 g/mol
- Exact mass
- 426.38617
- CAS number
- 79-63-0
- PubChem CID
- 21145180
- Canonical SMILES
- CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C
- Isomeric 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-MBIYZIJQSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 31
- Rings
- 4
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0.87
- H-bond donors
- 1
- H-bond acceptors
- 1
- Rotatable bonds
- 4
- TPSA (Ų)
- 20.2
- Formal charge
- 0
- XLogP3
- 8.9 PubChem
- Complexity
- 767 PubChem
- Stereocenters
- 7 definedCIP: C7: R · C9: R · C12: S · C18: S · C20: S · C24: S · C29: R
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C84.44%
- H11.81%
- O3.75%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- 8.48 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -7.56 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 4.58 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 426.73
- log P ≤ 5 (Crippen): 8.48
- H-bond donors ≤ 5: 1
- H-bond acceptors ≤ 10: 1
Breaks 1 of the four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
No GHS hazard classification was found in the sources.
Always read the supplier’s safety data sheet before working with it.
Spectra
- 13C NMRSpectraBase
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.