AI52544
559-70-6 | beta-Amyrin
Manufacturer: A2B Chem
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CatalogNumber
AI52544
ChemicalName
beta-Amyrin
CasNumber
559-70-6
MolecularFormula
C30H50O
MolecularWeight
426.7174
MdlNumber
MFCD00017381
Smiles
O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C
Complexity
790
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
8
HeavyAtomCount
31
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
Xlogp3
9.2
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CatalogNumber: AI52544
ChemicalName: beta-Amyrin
CasNumber: 559-70-6
MolecularFormula: C30H50O
MolecularWeight: 426.7174
MdlNumber: MFCD00017381
Smiles: O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C
Complexity: 790
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 8
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
Xlogp3: 9.2
CatalogNumber:
AI52544
ChemicalName:
beta-Amyrin
CasNumber:
559-70-6
MolecularFormula:
C30H50O
MolecularWeight:
426.7174
MdlNumber:
MFCD00017381
Smiles:
O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C
Complexity:
790
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
8
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
Xlogp3:
9.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
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Smiles:
O=C1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: NCCCC[C@@H](C(=O)OC)NC(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCCCC[C@@H](C(=O)OC)NC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__