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Structure

Bufa-4,20,22-trienolide,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-14-hydroxy-19-oxo-,(3b)-(9ci)

CAS
25955-03-7
Catalog Number
ACM25955037
Category
Other Products
Molecular Weight
544.6332
Molecular Formula
C30H40O9

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Specification

IUPAC Name
(3S,8R,9S,10S,13R,14S,17R)-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Canonical SMILES
CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C=O)O)O)O
InChI Key
KRRRXGPOQIUVMH-QEOBHVBUSA-N
Density
1.38g/cm³
EC Number
247-365-4
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