AI48770
3562-63-8 | (8R,9S,10R,13S,14S,17R)-17-Acetyl-17-hydroxy-6,10,13-trimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Manufacturer: A2B Chem
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CatalogNumber
AI48770
ChemicalName
(8R,9S,10R,13S,14S,17R)-17-Acetyl-17-hydroxy-6,10,13-trimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
CasNumber
3562-63-8
MolecularFormula
C22H30O3
MolecularWeight
342.4718
MdlNumber
MFCD01939877
Smiles
O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C)C
Complexity
717
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
6
HeavyAtomCount
25
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AI48770
ChemicalName: (8R,9S,10R,13S,14S,17R)-17-Acetyl-17-hydroxy-6,10,13-trimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
CasNumber: 3562-63-8
MolecularFormula: C22H30O3
MolecularWeight: 342.4718
MdlNumber: MFCD01939877
Smiles: O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C)C
Complexity: 717
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 6
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AI48770
ChemicalName:
(8R,9S,10R,13S,14S,17R)-17-Acetyl-17-hydroxy-6,10,13-trimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
CasNumber:
3562-63-8
MolecularFormula:
C22H30O3
MolecularWeight:
342.4718
MdlNumber:
MFCD01939877
Smiles:
O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C)C
Complexity:
717
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
6
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: AI48771
ChemicalName: 2-(Phenylthio)nicotinic acid
CasNumber: 35620-72-5
MolecularFormula: C12H9NO2S
MolecularWeight: 231.2704
MdlNumber: MFCD00052110
Smiles: OC(=O)c1cccnc1Sc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI48771
ChemicalName:
2-(Phenylthio)nicotinic acid
CasNumber:
35620-72-5
MolecularFormula:
C12H9NO2S
MolecularWeight:
231.2704
MdlNumber:
MFCD00052110
Smiles:
OC(=O)c1cccnc1Sc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCNCC1.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCNCC1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI48773
ChemicalName: 2-Amino-4-methyloxazole
CasNumber: 35629-70-0
MolecularFormula: C4H6N2O
MolecularWeight: 98.1032
MdlNumber: MFCD00126682
Smiles: Cc1coc(n1)N
Complexity: 66.7
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
AI48773
ChemicalName:
2-Amino-4-methyloxazole
CasNumber:
35629-70-0
MolecularFormula:
C4H6N2O
MolecularWeight:
98.1032
MdlNumber:
MFCD00126682
Smiles:
Cc1coc(n1)N
Complexity:
66.7
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.4