CS-0914036
(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a] phenanthrene-17-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1185143-75-2
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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
C₂₀H₂₆O₆
Molecular Weight
362.42
Synonyms
None
SMILES
C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(C[C@@H](O)[C@@]2(C(O)=O)O)[H]
Tpsa
115.06
Logp
1.0516
H Acceptors
5
H Donors
4
Rotatable Bonds
1
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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: C₂₀H₂₆O₆
Molecular Weight: 362.42
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(C[C@@H](O)[C@@]2(C(O)=O)O)[H]
Tpsa: 115.06
Logp: 1.0516
H Acceptors: 5
H Donors: 4
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:
C₂₀H₂₆O₆
Molecular Weight:
362.42
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(C[C@@H](O)[C@@]2(C(O)=O)O)[H]
Tpsa:
115.06
Logp:
1.0516
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
1
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₃N₃O₄
Molecular Weight: 321.37
Synonyms: None
SMILES: O=C(O)CCCC1=NC=2C=C(C=CC2N1C)N(CCO)CCO
Tpsa: 98.82
Logp: 0.7716
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 9
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₃N₃O₄
Molecular Weight:
321.37
Synonyms:
None
SMILES:
O=C(O)CCCC1=NC=2C=C(C=CC2N1C)N(CCO)CCO
Tpsa:
98.82
Logp:
0.7716
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₈ClN₃O₂
Molecular Weight: 295.76
Synonyms: None
SMILES: O=C(O)CCCC1=NC=2C=C(C=CC2N1C)NCCCl
Tpsa: 67.15
Logp: 2.6313
H Acceptors: 4
H Donors: 2
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:
C₁₄H₁₈ClN₃O₂
Molecular Weight:
295.76
Synonyms:
None
SMILES:
O=C(O)CCCC1=NC=2C=C(C=CC2N1C)NCCCl
Tpsa:
67.15
Logp:
2.6313
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
7
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₂ClN₃O₃
Molecular Weight: 339.82
Synonyms: None
SMILES: O=C(O)CCCC1=NC=2C=C(C=CC2N1C)N(CCCl)CCO
Tpsa: 78.59
Logp: 2.0181
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 9
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂ClN₃O₃
Molecular Weight:
339.82
Synonyms:
None
SMILES:
O=C(O)CCCC1=NC=2C=C(C=CC2N1C)N(CCCl)CCO
Tpsa:
78.59
Logp:
2.0181
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
9