Qingyangshengenin
Basic information
- CAS
84745-94-8- Standard SMILES
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccc(O)cc3)C12C- InChIKey
IMRGSWAJVVVYOW-UHFFFAOYSA-N- Molecular formula
- C28H36O8
- Average molar mass
- 500.6 g/mol
- Monoisotopic mass
- 500.2410181
Names & identifiers
- Preferred name
- Qingyangshengenin
- IUPAC
- (17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl) 4-hydroxybenzoate
- English name
- Qingyangshengenin
- Molecular formula
- C28H36O8
- Molecular weight
- 500.58
Names & synonyms
Qingyangshengenin84745-94-8DTXSID80331162RefChem:1097701DTXCID30282256QUINGYANGSHENGENINNSC379666(17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl) 4-hydroxybenzoateQingyangshengenin [M+H]+orb1300135CHEMBL1989993AKOS032948513
Show more names
Qingyangshengenin Aqyszgy AQingyanshengenin2-(3-hydroxypropoxy)-1Qingyangshengenin, 10 mM in DMSOQingyangshengenin A|||Cynanchagenin3,8,14,17-tetrahydroxy-20-oxopregn-5-en-12-yl 4-hydroxybenzo...
EBC-617472NSC-379666LS-15244T70243,8,14,17-Tetrahydroxy-20-oxopregn-5-en-12-yl 4-hydroxybenzoate1-acetyl-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 4-hydroxybenzoate
Database identifiers
- CAS
84745-94-8- PubChem CID
- 435955
- DTXSID
DTXSID80331162- ChEMBL
CHEMBL1989993
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 971
Physicochemical properties
- form
- Solid
- color
- Off-white to light yellow
Chemistry & industry
Applications
UsesQingyangshengenin is a steroid used in the preparation of antiepileptic agents.
Additional notes
DefinitionChEBI: Qingyangshengenin is a corticosteroid hormone.
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Compound notes
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