Scillascilloside B-1

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Catalog Number ACM2023822413
CAS 2023822-41-3
IUPAC Name 1-[(2'S,3S,4S,4'R,5R,10S,13S,14S,17S)-4-(hydroxymethyl)-4,4',10,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyspiro[1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-yl]propan-1-one
Molecular Weight 752.93
Molecular Formula C40H64O13
Canonical SMILES CCC(=O)C1CC(C2(O1)CCC3(C2(CCC4=C3CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)COC7C(C(C(CO7)O)O)O)O)O)O)C)C)C)C
Inchi InChI=1S/C40H64O13/c1-7-23(42)25-16-20(2)40(53-25)15-14-38(5)22-8-9-27-36(3,21(22)10-13-39(38,40)6)12-11-28(37(27,4)19-41)52-35-33(48)31(46)30(45)26(51-35)18-50-34-32(47)29(44)24(43)17-49-34/h20,24-35,41,43-48H,7-19H2,1-6H3/t20-,24+,25+,26-,27-,28+,29+,30-,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+/m1/s1
InChIKey RZAQKUZJRMZPFB-LNRNUTARSA-N
Purity 98%
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