AA15211
1162-53-4 | Pregna-5,16-dien-20-one, 3-hydroxy-, (3b)-
Manufacturer: A2B Chem
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CatalogNumber
AA15211
ChemicalName
Pregna-5,16-dien-20-one, 3-hydroxy-, (3b)-
CasNumber
1162-53-4
MolecularFormula
C21H30O2
MolecularWeight
314.4617
MdlNumber
MFCD00046219
Smiles
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2C(=O)C)C)C1)C
NscNumber
15467
Complexity
601
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
6
HeavyAtomCount
23
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.9
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CatalogNumber: AA15211
ChemicalName: Pregna-5,16-dien-20-one, 3-hydroxy-, (3b)-
CasNumber: 1162-53-4
MolecularFormula: C21H30O2
MolecularWeight: 314.4617
MdlNumber: MFCD00046219
Smiles: O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2C(=O)C)C)C1)C
NscNumber: 15467
Complexity: 601
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 6
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.9
CatalogNumber:
AA15211
ChemicalName:
Pregna-5,16-dien-20-one, 3-hydroxy-, (3b)-
CasNumber:
1162-53-4
MolecularFormula:
C21H30O2
MolecularWeight:
314.4617
MdlNumber:
MFCD00046219
Smiles:
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2C(=O)C)C)C1)C
NscNumber:
15467
Complexity:
601
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
6
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.9
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Smiles: O[C@H](c1cccc2c1cccc2)[C@@H](c1cccc2c1cccc2)O
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Complexity: __
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Smiles:
O[C@H](c1cccc2c1cccc2)[C@@H](c1cccc2c1cccc2)O
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Smiles: Clc1ccc(c(c1)C1C(=O)CN(C1=O)C)Oc1ccccc1
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Smiles:
Clc1ccc(c(c1)C1C(=O)CN(C1=O)C)Oc1ccccc1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__