CS-0899906
Spinasaponin E
Manufacturer: ChemScene
CAS Number: 2867584-02-7
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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
C₅₈H₉₀O₂₈
Molecular Weight
1235.32
Synonyms
None
SMILES
O[C@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)[C@@H]3OC([C@]45[C@](CC(C)(CC5)C)([H])C6=CC[C@@]([C@@]7([C@@]([C@@](C)([C@H]([C@H](C7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(O)=O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)C(O)=O)([H])CC%10)C)([H])[C@]%10(C)[C@@]6(CC4)C)=O
Tpsa
N/A
Logp
N/A
H Acceptors
N/A
H Donors
N/A
Rotatable Bonds
N/A
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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: C₅₈H₉₀O₂₈
Molecular Weight: 1235.32
Synonyms: None
SMILES: O[C@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)[C@@H]3OC([C@]45[C@](CC(C)(CC5)C)([H])C6=CC[C@@]([C@@]7([C@@]([C@@](C)([C@H]([C@H](C7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(O)=O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)C(O)=O)([H])CC%10)C)([H])[C@]%10(C)[C@@]6(CC4)C)=O
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₈H₉₀O₂₈
Molecular Weight:
1235.32
Synonyms:
None
SMILES:
O[C@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)[C@@H]3OC([C@]45[C@](CC(C)(CC5)C)([H])C6=CC[C@@]([C@@]7([C@@]([C@@](C)([C@H]([C@H](C7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(O)=O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)C(O)=O)([H])CC%10)C)([H])[C@]%10(C)[C@@]6(CC4)C)=O
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₅FN₂O₂S
Molecular Weight: 188.18
Synonyms: None
SMILES: FC(C=C1[N+]([O-])=O)=C(C(S)=C1)N
Tpsa: 69.16
Logp: 1.6048
H Acceptors: 4
H Donors: 2
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:
C₆H₅FN₂O₂S
Molecular Weight:
188.18
Synonyms:
None
SMILES:
FC(C=C1[N+]([O-])=O)=C(C(S)=C1)N
Tpsa:
69.16
Logp:
1.6048
H Acceptors:
4
H Donors:
2
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: C₉H₈FNO₄
Molecular Weight: 213.16
Synonyms: None
SMILES: O=C(C)C1=CC(OC)=C(C=C1[N+]([O-])=O)F
Tpsa: 69.44
Logp: 1.9451
H Acceptors: 4
H Donors: 0
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:
C₉H₈FNO₄
Molecular Weight:
213.16
Synonyms:
None
SMILES:
O=C(C)C1=CC(OC)=C(C=C1[N+]([O-])=O)F
Tpsa:
69.44
Logp:
1.9451
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD20484990
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂BrNO₃
Molecular Weight: 298.13
Synonyms: None
SMILES: O=C1C2=C(C(N1CCOCCBr)=O)C=CC=C2
Tpsa: 46.61
Logp: 1.6941
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD20484990
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂BrNO₃
Molecular Weight:
298.13
Synonyms:
None
SMILES:
O=C1C2=C(C(N1CCOCCBr)=O)C=CC=C2
Tpsa:
46.61
Logp:
1.6941
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5