Pedunsaponin A
Request a quote| Catalog Number | ACM250613275 |
| CAS | 250613-27-5 |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,7R,8aS,12aS,14aR,14bR)-7-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
| Molecular Weight | 811.0 |
| Molecular Formula | C42H66O15 |
| Canonical SMILES | CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2=O)O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C |
| Inchi | InChI=1S/C42H66O15/c1-37(2)14-15-38(3)20(16-37)19-8-9-23-39(4)12-11-24(40(5,18-44)22(39)10-13-41(23,6)42(19,7)33(51)32(38)50)55-36-29(49)30(28(48)31(57-36)34(52)53)56-35-27(47)26(46)25(45)21(17-43)54-35/h8,20-31,33,35-36,43-49,51H,9-18H2,1-7H3,(H,52,53)/t20-,21+,22+,23+,24-,25+,26-,27+,28-,29+,30-,31-,33-,35-,36+,38-,39-,40-,41+,42-/m0/s1 |
| InChIKey | QAZTYSZGLJXCHN-PFVMXIPDSA-N |
| Purity | 98% |
| Appearance | Powder |
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