CS-0533548
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-12-(((E)-2-methylbut-2-enoyl)oxy)-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 Paclitaxel Impurity
Manufacturer: ChemScene
CAS Number: 173101-54-7
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄₅H₅₃NO₁₄
Molecular Weight
831.90
Synonyms
Iso-cephalomannine
SMILES
CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(C6=CC=CC=C6)=O)=O)C)C)O)OC(/C(C)=C/C)=O)=O
Tpsa
221.29
Logp
3.3881
H Acceptors
14
H Donors
4
Rotatable Bonds
10
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 173101-54-7 | Iso Cephalomannine | A2B Chem | ₹ 70,844.00 - ₹ 1,19,616.00 |
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
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Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₅H₅₃NO₁₄
Molecular Weight: 831.90
Synonyms: Iso-cephalomannine
SMILES: CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(C6=CC=CC=C6)=O)=O)C)C)O)OC(/C(C)=C/C)=O)=O
Tpsa: 221.29
Logp: 3.3881
H Acceptors: 14
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₅H₅₃NO₁₄
Molecular Weight:
831.90
Synonyms:
Iso-cephalomannine
SMILES:
CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(C6=CC=CC=C6)=O)=O)C)C)O)OC(/C(C)=C/C)=O)=O
Tpsa:
221.29
Logp:
3.3881
H Acceptors:
14
H Donors:
4
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₅H₅₃NO₁₄
Molecular Weight: 831.90
Synonyms: 7-epi-Cephalomannine
SMILES: CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(/C(C)=C/C)=O)=O)C)C)O)OC(C6=CC=CC=C6)=O)=O
Tpsa: 221.29
Logp: 3.3881
H Acceptors: 14
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₅H₅₃NO₁₄
Molecular Weight:
831.90
Synonyms:
7-epi-Cephalomannine
SMILES:
CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(/C(C)=C/C)=O)=O)C)C)O)OC(C6=CC=CC=C6)=O)=O
Tpsa:
221.29
Logp:
3.3881
H Acceptors:
14
H Donors:
4
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₁H₆₂N₂O₁₆
Molecular Weight: 1079.15
Synonyms: Paclitaxel Impurity 66
SMILES: CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(C6=CC=CC=C6)=O)=O)=C([C@H](C4)OC([C@H](O)[C@H](C7=CC=CC=C7)NC(C8=CC=CC=C8)=O)=O)C)C)O)OC(C9=CC=CC=C9)=O)=O
Tpsa: 270.62
Logp: 5.248
H Acceptors: 16
H Donors: 6
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₁H₆₂N₂O₁₆
Molecular Weight:
1079.15
Synonyms:
Paclitaxel Impurity 66
SMILES:
CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(C6=CC=CC=C6)=O)=O)=C([C@H](C4)OC([C@H](O)[C@H](C7=CC=CC=C7)NC(C8=CC=CC=C8)=O)=O)C)C)O)OC(C9=CC=CC=C9)=O)=O
Tpsa:
270.62
Logp:
5.248
H Acceptors:
16
H Donors:
6
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₇H₅₃NO₁₅
Molecular Weight: 871.92
Synonyms: Paclitaxel Oxetane Ring-Opened 3-Acetyl 4-Benzoyl Impurity
SMILES: C[C@]12[C@@]([C@@H]([C@]3(C(C)(C([C@H](C2=O)OC(C)=O)=C([C@H](C3)OC([C@H](O)[C@H](C4=CC=CC=C4)NC(C5=CC=CC=C5)=O)=O)C)C)O)O)([H])[C@@](O)([C@H](C[C@@H]1O)OC(C)=O)COC(C6=CC=CC=C6)=O
Tpsa: 252.52
Logp: 2.6901
H Acceptors: 15
H Donors: 6
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₇H₅₃NO₁₅
Molecular Weight:
871.92
Synonyms:
Paclitaxel Oxetane Ring-Opened 3-Acetyl 4-Benzoyl Impurity
SMILES:
C[C@]12[C@@]([C@@H]([C@]3(C(C)(C([C@H](C2=O)OC(C)=O)=C([C@H](C3)OC([C@H](O)[C@H](C4=CC=CC=C4)NC(C5=CC=CC=C5)=O)=O)C)C)O)O)([H])[C@@](O)([C@H](C[C@@H]1O)OC(C)=O)COC(C6=CC=CC=C6)=O
Tpsa:
252.52
Logp:
2.6901
H Acceptors:
15
H Donors:
6
Rotatable Bonds:
11