Larsucosterol
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Molecular Identity
Larsucosterol
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
PubChem CID: 11583880
25-hydroxycholesterol sulfate is a cholestanoid.
2D Structure
Properties
C27H46O5S
Molecular Formula
482.70
Molecular Weight
g/mol
482.3066
Exact Mass
Da
6.4
XLogP
Above Lipinski threshold
92.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
858
Complexity
SMILES
Canonical SMILES
SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)CIsomeric SMILES
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)CSynonyms(20)
Larsucosterol25HC3SDUR-9285-Cholesten-3beta-25-diol-3-sulfateLarsucosterol [USAN]UGX2V7MGMZDUR928UNII-UGX2V7MGMZDur 928LARSUCOSTEROL [INN]5-CHOLESTEN-3.BETA.-25-DIOL-3-SULFATE25-HYDROXYCHOLEST-5-EN-3.BETA.-YL HYDROGEN SULFATECHOLEST-5-ENE-3,25-DIOL, 3-(HYDROGEN SULFATE), (3.BETA.)-RefChem:152386DUR-928 [WHO-DD]
Data from PubChem (NCBI)
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