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AB49691

33069-62-4 | (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate

Manufacturer: A2B Chem

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CatalogNumber

AB49691

ChemicalName

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate

CasNumber

33069-62-4

MolecularFormula

C47H51NO14

MolecularWeight

853.9061400000003

MdlNumber

MFCD00869953

Smiles

CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C

Complexity

1790

Covalently-bondedUnitCount

1

DefinedAtomStereocenterCount

11

HeavyAtomCount

62

HydrogenBondAcceptorCount

14

HydrogenBondDonorCount

4

RotatableBondCount

14

Xlogp3

2.5

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A2B Chem

AB49691

--

CatalogNumber:
AB49691
ChemicalName:
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate
CasNumber:
33069-62-4
MolecularFormula:
C47H51NO14
MolecularWeight:
853.9061400000003
MdlNumber:
MFCD00869953
Smiles:
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
Complexity:
1790
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
11
HeavyAtomCount:
62
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
4
RotatableBondCount:
14
Xlogp3:
2.5

Img

A2B Chem

AB49692

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CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccccc1S(=O)(=O)N
Complexity:
219
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.2

Img

A2B Chem

AB49693

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CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__

Img

A2B Chem

AB49694

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CatalogNumber:
AB49694
ChemicalName:
Acridine-4-carboxylic acid
CasNumber:
31327-97-6
MolecularFormula:
C14H9NO2
MolecularWeight:
223.2268
MdlNumber:
MFCD21340176
Smiles:
OC(=O)c1cccc2c1nc1ccccc1c2
Complexity:
305
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.5