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35337-98-5,MFCD01747824
Catalog No.:AA00C975

35337-98-5 | (13R,14R)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione 4-oxide

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5mg
95%
in stock  
$532.00   $373.00
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10mg
95%
in stock  
$865.00   $605.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00C975
Chemical Name:
(13R,14R)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione 4-oxide
CAS Number:
35337-98-5
Molecular Formula:
C16H23NO7
Molecular Weight:
341.3563
MDL Number:
MFCD01747824
SMILES:
O=C1OC2CCN3(=O)[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O
NSC Number:
108378
Properties
Computed Properties
 
Complexity:
620  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Undefined Atom Stereocenter Count:
6  
XLogP3:
-1.3  

Literature

Title: Wang YP, et al. Metabolic activation of the tumorigenic pyrrolizidine alkaloid, monocrotaline, leading to DNA adduct formation in vivo. Cancer Lett. 2005 Aug 8;226(1):27-35.

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Tags:35337-98-5 Molecular Formula|35337-98-5 MDL|35337-98-5 SMILES|35337-98-5 (13R,14R)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione 4-oxide