Desglucohellebrin

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Catalog Number ACM20300441-1
Product Name Desglucohellebrin
CAS Number 20300-44-1
IUPAC Name (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2S,5S)-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
Molecular Weight 562.6
Molecular Formula C30H42O10
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)O
Inchi InChI=1S/C30H42O10/c1-16-23(33)24(34)25(35)26(39-16)40-18-5-10-28(15-31)20-6-9-27(2)19(17-3-4-22(32)38-14-17)8-12-30(27,37)21(20)7-11-29(28,36)13-18/h3-4,14-16,18-21,23-26,33-37H,5-13H2,1-2H3/t16?,18-,19+,20-,21+,23+,24?,25?,26+,27+,28-,29-,30-/m0/s1
InChIKey HNNFRQFXBWSJBX-MLQJDTNZSA-N
Purity 98%
Appearance Powder

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