AA58517
13850-16-3 | Tormentic acid
Manufacturer: A2B Chem
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CatalogNumber
AA58517
ChemicalName
Tormentic acid
CasNumber
13850-16-3
MolecularFormula
C30H48O5
MolecularWeight
488.6991
MdlNumber
MFCD09970923
Smiles
O[C@@H]1C[C@@]2(C)[C@H](C([C@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@](C)(O)[C@H](C)CC1)C(=O)O)C
NscNumber
720893
Complexity
956
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
11
HeavyAtomCount
35
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
4
RotatableBondCount
1
Xlogp3
5
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CatalogNumber: AA58517
ChemicalName: Tormentic acid
CasNumber: 13850-16-3
MolecularFormula: C30H48O5
MolecularWeight: 488.6991
MdlNumber: MFCD09970923
Smiles: O[C@@H]1C[C@@]2(C)[C@H](C([C@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@](C)(O)[C@H](C)CC1)C(=O)O)C
NscNumber: 720893
Complexity: 956
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 11
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 1
Xlogp3: 5
CatalogNumber:
AA58517
ChemicalName:
Tormentic acid
CasNumber:
13850-16-3
MolecularFormula:
C30H48O5
MolecularWeight:
488.6991
MdlNumber:
MFCD09970923
Smiles:
O[C@@H]1C[C@@]2(C)[C@H](C([C@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@](C)(O)[C@H](C)CC1)C(=O)O)C
NscNumber:
720893
Complexity:
956
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
11
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
1
Xlogp3:
5
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Smiles: [SiH3]C[SiH](C[SiH3])C[SiH3]
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DefinedAtomStereocenterCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[SiH3]C[SiH](C[SiH3])C[SiH3]
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COC(=O)c1ncc2c(c1)n(nc2)C(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ncc2c(c1)n(nc2)C(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__