Products 20300-44-1

CAS 20300-44-1 appears in our catalog under these names: Desglucohellebrin, Deglucohellebrin, Deglucohellebrin, ≥98%. Offered by: GLPBio, Biosynth, MedChemExpress, Chemat. Available pack sizes: 5mg, 25mg, 10mg, 50mg, Get quote.

Structural formula: {0} (CAS {1})

(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde (CAS 20300-44-1) is a chemical compound with the molecular formula C30H42O10 and a molecular weight of 562.6 g/mol. IUPAC name: (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde. InChIKey: HNNFRQFXBWSJBX-MTUTWWBMSA-N.

Identity
Molecular formulaC30H42O10
Molecular weight562.6 g/mol
IUPAC name(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
InChIKeyHNNFRQFXBWSJBX-MTUTWWBMSA-N
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)O

Computed by PubChem (NCBI)