Lanosta-8,24-dien-3-yl acetate

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Basic information

CAS: 2671-68-3
Standard SMILES: CC(=O)O[C@H]1CC[C@]2(C)C3=C(CCC2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3
InChIKey: BQPPJGMMIYJVBR-FBVRJMPFSA-N
Molecular formula: C32H52O2
Average molar mass: 468.8 g/mol
Monoisotopic mass: 468.3967309

Names & identifiers

Preferred name: Lanosta-8,24-dien-3-yl acetate
IUPAC: [(3S,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-yl] acetate

Names & synonyms

Lanosta-8,24-dien-3-yl acetateSCHEMBL5666302DTXSID80949524BQPPJGMMIYJVBR-FBVRJMPFSA-N[(3S,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-yl] acetate(5xi)-Lanosta-8,24-dien-3beta-yl acetate

Database identifiers

CAS: 2671-68-3
PubChem CID: 3036237
DTXSID: DTXSID80949524

Properties

Computed structural properties

XLogP: 9.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 873

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Compound notes

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