CS-0515874
Methyl (4aS,6aR,6bS,8aR,12aR,14bS)-11-bromo-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylate
Manufacturer: ChemScene
CAS Number: 1428550-98-4
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₁H₄₃BrO₄
Molecular Weight
559.57
Synonyms
(4aS,6aR,6bS,8aR,12aR,14bS)-methyl 11-bromo-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-octadecahydropicene-4a-carboxylate
SMILES
O=C([C@]1(CC[C@@]2(C)[C@]3(C)CC[C@@]4([H])C(C)(C)C(C(Br)=C[C@]4(C)C3=C5)=O)CCC(C)(C)C[C@@]1([H])C2C5=O)OC
Tpsa
60.44
Logp
7.2078
H Acceptors
4
H Donors
0
Rotatable Bonds
1
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₄₃BrO₄
Molecular Weight: 559.57
Synonyms: (4aS,6aR,6bS,8aR,12aR,14bS)-methyl 11-bromo-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-octadecahydropicene-4a-carboxylate
SMILES: O=C([C@]1(CC[C@@]2(C)[C@]3(C)CC[C@@]4([H])C(C)(C)C(C(Br)=C[C@]4(C)C3=C5)=O)CCC(C)(C)C[C@@]1([H])C2C5=O)OC
Tpsa: 60.44
Logp: 7.2078
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₄₃BrO₄
Molecular Weight:
559.57
Synonyms:
(4aS,6aR,6bS,8aR,12aR,14bS)-methyl 11-bromo-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-octadecahydropicene-4a-carboxylate
SMILES:
O=C([C@]1(CC[C@@]2(C)[C@]3(C)CC[C@@]4([H])C(C)(C)C(C(Br)=C[C@]4(C)C3=C5)=O)CCC(C)(C)C[C@@]1([H])C2C5=O)OC
Tpsa:
60.44
Logp:
7.2078
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₅NO
Molecular Weight: 129.20
Synonyms: 3-isobutyl-3-azetidinol
SMILES: OC1(CC(C)C)CNC1
Tpsa: 32.26
Logp: 0.3668
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₅NO
Molecular Weight:
129.20
Synonyms:
3-isobutyl-3-azetidinol
SMILES:
OC1(CC(C)C)CNC1
Tpsa:
32.26
Logp:
0.3668
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₀O₆
Molecular Weight: 286.24
Synonyms: 3,7,8,4'-Tetrahydroxyflavone
SMILES: O=C1C(O)=C(C2=CC=C(O)C=C2)OC3=C(O)C(O)=CC=C13
Tpsa: 111.13
Logp: 2.2824
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₀O₆
Molecular Weight:
286.24
Synonyms:
3,7,8,4'-Tetrahydroxyflavone
SMILES:
O=C1C(O)=C(C2=CC=C(O)C=C2)OC3=C(O)C(O)=CC=C13
Tpsa:
111.13
Logp:
2.2824
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₅NO
Molecular Weight: 213.28
Synonyms: (S)-2-([1,1'-biphenyl]-4-yl)-2-aminoethanol
SMILES: OC[C@@H](N)C1=CC=C(C2=CC=CC=C2)C=C1
Tpsa: 46.25
Logp: 2.3457
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₅NO
Molecular Weight:
213.28
Synonyms:
(S)-2-([1,1'-biphenyl]-4-yl)-2-aminoethanol
SMILES:
OC[C@@H](N)C1=CC=C(C2=CC=CC=C2)C=C1
Tpsa:
46.25
Logp:
2.3457
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3