$196.00 – $360.00
| CAS No.: | 1313049-59-0 |
| Molecular Formula | C₅₀H₈₀O₂₇ |
| Molecular Weight | 1113.2g/mol |
| Purity | HPLC>98% |
| Chemical Family | Diterpenoids |
IUPAC Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
InChI: InChI=1S/C50H80O27/c1-18-12-49-10-6-24-47(3,8-5-9-48(24,4)46(67)76-44-39(34(63)29(58)22(15-53)71-44)74-41-35(64)31(60)26(55)19(2)68-41)25(49)7-11-50(18,17-49)77-45-40(75-43-37(66)33(62)28(57)21(14-52)70-43)38(30(59)23(16-54)72-45)73-42-36(65)32(61)27(56)20(13-51)69-42/h19-45,51-66H,1,5-17H2,2-4H3/t19-,20+,21+,22+,23+,24-,25-,26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41-,42-,43-,44-,45-,47+,48+,49+,50-/m0/s1
InChIKey: HINSNOJRHFIMKB-DJDMUFINSA-N
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C3(CCCC4(C3CCC56C4CCC(C5)(C(=C)C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)CO)O)O)O)O)O
Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)[C@@]3(CCC[C@@]4([C@@H]3CC[C@]56[C@H]4CC[C@](C5)(C(=C)C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)CO)O)O)O)O)O
Synonyms: Rebaudioside J; 1313049-59-0; SCHEMBL19912939; HY-N6886; AKOS040740897; DA-77379; CS-0100490
Botanical Source: Stevia rebaudiana (Bertoni) Hemsl.
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