(2aR,4aS,6aR,10R,11R,12aR,12bS,14bR)-11-Hydroxy-2a,12a-dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-10-yl bet a-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-alpha-L-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-L-ribo-hexopyranoside
[CAS# 87741-80-8]

Identification

• Name: (2aR,4aS,6aR,10R,11R,12aR,12bS,14bR)-11-Hydroxy-2a,12a-dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-10-yl bet a-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-alpha-L-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-L-ribo-hexopyranoside
• Synonyms: glaucoside H
• Molecular Formula: C₄₇H₇₂O₂₀
• Molecular Weight: 957.06
• CAS Registry Number: 87741-80-8
• SMILES: O[C@@H]9[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]9O[C@@H]1[C@H](OC)C[C@@H](O[C@H]1C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@@H]3[C@H](OC)C[C@H](O[C@H]3C)O[C@@H]5C\C6=C\C[C@H]4C(=O)O[C@@H]7CO[C@]8(C)O\C=C(\CC[C@@H]4[C@@]6(C)C[C@H]5O)[C@H]78
• InChI: 1S/C47H72O20/c1-20-41(65-36-15-31(56-7)43(22(3)61-36)67-45-40(53)39(52)38(51)32(17-48)64-45)27(49)13-34(59-20)66-42-21(2)60-35(14-30(42)55-6)62-29-12-24-9-10-25-26(46(24,4)16-28(29)50)11-8-23-18-57-47(5)37(23)33(19-58-47)63-44(25)54/h9,18,20-22,25-43,45,48-53H,8,10-17,19H2,1-7H3/t20-,21+,22+,25-,26+,27+,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39+,40-,41-,42+,43+,45+,46+,47+/m1/s1
• InChIKey: PNOYMYGRNNZTRO-CIWLKVBTSA-N

Properties

• Density: 1.407g/cm³ (Cal.)