Lanost-9(11)-ene-3,18,20,23-tetrol, 3,18,23-triacetate, (3beta,20xi)-

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Basic information

CAS: 36871-80-4
Standard SMILES: CC(=O)OCC12CC=C3C(CCC4C3(C)CCC(OC(C)=O)C4(C)C)C1(C)CCC2C(C)(O)CC(CC(C)C)OC(C)=O
InChIKey: FNFCNZRLCBPLBW-UHFFFAOYSA-N
Molecular formula: C36H58O7
Average molar mass: 602.8 g/mol
Monoisotopic mass: 602.41825418

Names & identifiers

Preferred name: Lanost-9(11)-ene-3,18,20,23-tetrol, 3,18,23-triacetate, (3beta,20xi)-
IUPAC: [3-acetyloxy-17-(4-acetyloxy-2-hydroxy-6-methylheptan-2-yl)-4,4,10,14-tetramethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl acetate
English name: (20ξ)-5α-Lanost-9(11)-ene-3β,18,20,23-tetrol 3,18,23-triacetate
Molecular formula: C36H58O7
Molecular weight: 602.84152

Names & synonyms

36871-80-4RefChem:351065Lanost-9(11)-ene-3,18,20,23-tetrol, 3,18,23-triacetate, (3beta,20xi)-DTXSID60116722520-Hydroxylanost-9(11)-ene-3,18,23-triyl triacetateLanost-9(11)-ene-3,18,20,23-tetrol, 3,18,23-triacetate, (3I(2),20I(3/4))-(20ξ)-5α-Lanost-9(11)-ene-3β,18,20,23-tetrol 3,18,23-triacetate

Database identifiers

CAS: 36871-80-4
PubChem CID: 635074
DTXSID: DTXSID601167225

Properties

Computed structural properties

XLogP: 7.2
Topological polar surface area: 99.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 12
Heavy atoms: 43
Formal charge: 0
Complexity: 1,120

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Compound notes

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