AB08264
19865-87-3 | Cabralealactone
Manufacturer: A2B Chem
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CatalogNumber
AB08264
ChemicalName
Cabralealactone
CasNumber
19865-87-3
MolecularFormula
C27H42O3
MolecularWeight
414.6206
MdlNumber
MFCD20261037
Smiles
O=C1CC[C@@](O1)(C)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C
Complexity
785
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
8
HeavyAtomCount
30
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
6.5
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CatalogNumber: AB08264
ChemicalName: Cabralealactone
CasNumber: 19865-87-3
MolecularFormula: C27H42O3
MolecularWeight: 414.6206
MdlNumber: MFCD20261037
Smiles: O=C1CC[C@@](O1)(C)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C
Complexity: 785
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 8
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 6.5
CatalogNumber:
AB08264
ChemicalName:
Cabralealactone
CasNumber:
19865-87-3
MolecularFormula:
C27H42O3
MolecularWeight:
414.6206
MdlNumber:
MFCD20261037
Smiles:
O=C1CC[C@@](O1)(C)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C
Complexity:
785
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
8
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
6.5
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Smiles: CC(=C)Cc1cc(C)ccc1C
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Smiles:
CC(=C)Cc1cc(C)ccc1C
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Smiles: OC(=O)C=Cc1ccc2c(c1)CCO2
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__
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Smiles:
OC(=O)C=Cc1ccc2c(c1)CCO2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=c1c(c[nH]cc1[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1c(c[nH]cc1[N+](=O)[O-])[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__