CS-0654431
(4aR,10aS)-Ethyl 8-methoxy-4a-methyl-2-(((trifluoromethyl)sulfonyl)oxy)-3,4,4a,9,10,10a-hexahydrophenanthrene-1-carboxylate
Manufacturer: ChemScene
CAS Number: None
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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
C₂₀H₂₃F₃O₆S
Molecular Weight
448.45
Synonyms
None
SMILES
O=C(OCC)C1=C(OS(C(F)(F)F)(=O)=O)CC[C@@]2(C)C3=CC=CC(OC)=C3CC[C@@]21[H]
Tpsa
78.9
Logp
3.9925
H Acceptors
6
H Donors
0
Rotatable Bonds
5
Other Options
...
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₀H₂₃F₃O₆S
Molecular Weight: 448.45
Synonyms: None
SMILES: O=C(OCC)C1=C(OS(C(F)(F)F)(=O)=O)CC[C@@]2(C)C3=CC=CC(OC)=C3CC[C@@]21[H]
Tpsa: 78.9
Logp: 3.9925
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₃F₃O₆S
Molecular Weight:
448.45
Synonyms:
None
SMILES:
O=C(OCC)C1=C(OS(C(F)(F)F)(=O)=O)CC[C@@]2(C)C3=CC=CC(OC)=C3CC[C@@]21[H]
Tpsa:
78.9
Logp:
3.9925
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₁F₃O₅S
Molecular Weight: 406.42
Synonyms: None
SMILES: C[C@]12C3=CC=CC(OC)=C3CC[C@]1([H])C(CO)=C(OS(C(F)(F)F)(=O)=O)CC2
Tpsa: 72.83
Logp: 3.4217
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₁F₃O₅S
Molecular Weight:
406.42
Synonyms:
None
SMILES:
C[C@]12C3=CC=CC(OC)=C3CC[C@]1([H])C(CO)=C(OS(C(F)(F)F)(=O)=O)CC2
Tpsa:
72.83
Logp:
3.4217
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₀O₃
Molecular Weight: 284.35
Synonyms: None
SMILES: C[C@]12C3=CC=CC(OC)=C3CC[C@]1([H])C4=C(C(OC4)=O)CC2
Tpsa: 35.53
Logp: 3.1625
H Acceptors: 3
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:
C₁₈H₂₀O₃
Molecular Weight:
284.35
Synonyms:
None
SMILES:
C[C@]12C3=CC=CC(OC)=C3CC[C@]1([H])C4=C(C(OC4)=O)CC2
Tpsa:
35.53
Logp:
3.1625
H Acceptors:
3
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: C₁₈H₁₈O₄
Molecular Weight: 298.33
Synonyms: None
SMILES: C[C@]([C@]1([H])C2)(CCC3=C1COC3=O)C4=CC=CC(OC)=C4C2=O
Tpsa: 52.6
Logp: 2.8027
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:
C₁₈H₁₈O₄
Molecular Weight:
298.33
Synonyms:
None
SMILES:
C[C@]([C@]1([H])C2)(CCC3=C1COC3=O)C4=CC=CC(OC)=C4C2=O
Tpsa:
52.6
Logp:
2.8027
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1