CS-0914194
(4aS,4bS,5aS,6aS,7R,8R,9aS,9bS)-4a,6a,8-trimethyl-2-oxo-7-(2-(tosyloxy)acetyl)-2,4a,5a,6,6a,7,8,9,9a,9b,10,11-dodecahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl furan-2-carboxylate
Manufacturer: ChemScene
CAS Number: 424787-89-3
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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
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
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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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₁NO₅S₂
Molecular Weight: 335.44
Synonyms: None
SMILES: O=C(O)C1N(C(=O)C(C)CSSCC(C(=O)O)C)CCC1
Tpsa: 94.91
Logp: 1.8002
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₁NO₅S₂
Molecular Weight:
335.44
Synonyms:
None
SMILES:
O=C(O)C1N(C(=O)C(C)CSSCC(C(=O)O)C)CCC1
Tpsa:
94.91
Logp:
1.8002
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
8
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₇F₂N₃O₅
Molecular Weight: 405.35
Synonyms: None
SMILES: O=C1C=2N(C[C@]3(N1[C@@H](C)CO3)[H])C=C(C(NCC4=C(F)C=C(F)C=C4)=O)C(=O)C2O
Tpsa: 100.87
Logp: 0.9627
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₇F₂N₃O₅
Molecular Weight:
405.35
Synonyms:
None
SMILES:
O=C1C=2N(C[C@]3(N1[C@@H](C)CO3)[H])C=C(C(NCC4=C(F)C=C(F)C=C4)=O)C(=O)C2O
Tpsa:
100.87
Logp:
0.9627
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
3