CS-0914192
2-((4aS,4bS,5aS,6aS,7R,8R,9aS,9bS)-7-hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,5a,6,6a,7,8,9,9a,9b,10,11-dodecahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl)-2-oxoethyl 4-methylbenzenesulfonate
Manufacturer: ChemScene
CAS Number: 201601-32-3
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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
C₂₉H₃₄O₇S
Molecular Weight
526.64
Synonyms
None
SMILES
C[C@@]12[C@@]34[C@@](O3)(C[C@@]5(C)[C@]([C@@]4(CCC1=CC(=O)C=C2)[H])(C[C@@H](C)[C@@]5(C(COS(=O)(=O)C6=CC=C(C)C=C6)=O)O)[H])[H]
Tpsa
110.27
Logp
3.68572
H Acceptors
7
H Donors
1
Rotatable Bonds
5
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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: C₂₉H₃₄O₇S
Molecular Weight: 526.64
Synonyms: None
SMILES: C[C@@]12[C@@]34[C@@](O3)(C[C@@]5(C)[C@]([C@@]4(CCC1=CC(=O)C=C2)[H])(C[C@@H](C)[C@@]5(C(COS(=O)(=O)C6=CC=C(C)C=C6)=O)O)[H])[H]
Tpsa: 110.27
Logp: 3.68572
H Acceptors: 7
H Donors: 1
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:
C₂₉H₃₄O₇S
Molecular Weight:
526.64
Synonyms:
None
SMILES:
C[C@@]12[C@@]34[C@@](O3)(C[C@@]5(C)[C@]([C@@]4(CCC1=CC(=O)C=C2)[H])(C[C@@H](C)[C@@]5(C(COS(=O)(=O)C6=CC=C(C)C=C6)=O)O)[H])[H]
Tpsa:
110.27
Logp:
3.68572
H Acceptors:
7
H Donors:
1
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: C₁₄H₁₇ClN₂O₂S
Molecular Weight: 312.81
Synonyms: None
SMILES: [Cl-].O=S(=O)(C1=CC=C(C=C1)C)[N+]2=CC=C(C=C2)N(C)C
Tpsa: 41.26
Logp: -1.41048
H Acceptors: 3
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:
C₁₄H₁₇ClN₂O₂S
Molecular Weight:
312.81
Synonyms:
None
SMILES:
[Cl-].O=S(=O)(C1=CC=C(C=C1)C)[N+]2=CC=C(C=C2)N(C)C
Tpsa:
41.26
Logp:
-1.41048
H Acceptors:
3
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: C₃₄H₃₆O₉S
Molecular Weight: 620.71
Synonyms: None
SMILES: C[C@@]12[C@@]34[C@]([C@]5([C@](C)(C[C@@]3(O4)[H])[C@@](OC(=O)C6=CC=CO6)(C(COS(=O)(=O)C7=CC=C(C)C=C7)=O)[C@H](C)C5)[H])(CCC1=CC(=O)C=C2)[H]
Tpsa: 129.48
Logp: 5.14342
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₆O₉S
Molecular Weight:
620.71
Synonyms:
None
SMILES:
C[C@@]12[C@@]34[C@]([C@]5([C@](C)(C[C@@]3(O4)[H])[C@@](OC(=O)C6=CC=CO6)(C(COS(=O)(=O)C7=CC=C(C)C=C7)=O)[C@H](C)C5)[H])(CCC1=CC(=O)C=C2)[H]
Tpsa:
129.48
Logp:
5.14342
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₃F₂NO₇S
Molecular Weight: 577.64
Synonyms: None
SMILES: O(C(=O)C1=CC=CO1)[C@@]2(C(SC(N(C)C)=O)=O)[C@]3(C)[C@@](C[C@H]2C)([C@]4([C@](F)([C@@H](O)C3)[C@]5(C)C([C@@H](F)C4)=CC(=O)C=C5)[H])[H]
Tpsa: 114.12
Logp: 4.6814
H Acceptors: 8
H Donors: 1
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:
C₂₉H₃₃F₂NO₇S
Molecular Weight:
577.64
Synonyms:
None
SMILES:
O(C(=O)C1=CC=CO1)[C@@]2(C(SC(N(C)C)=O)=O)[C@]3(C)[C@@](C[C@H]2C)([C@]4([C@](F)([C@@H](O)C3)[C@]5(C)C([C@@H](F)C4)=CC(=O)C=C5)[H])[H]
Tpsa:
114.12
Logp:
4.6814
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
3