$65.00
| CAS No.: | 117479-87-5 |
| Molecular Formula | C₁₇H₂₄O₁₂ |
| Molecular Weight | 420.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Iridoids |
| Weight |
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IUPAC Name: methyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
InChI: InChI=1S/C17H24O12/c1-16-10-15(28-14-9(21)8(20)7(19)6(3-18)27-14)26-4-5(13(23)25-2)17(10,24)11(22)12(16)29-16/h4,6-12,14-15,18-22,24H,3H2,1-2H3/t6-,7-,8+,9-,10-,11-,12+,14+,15+,16-,17+/m1/s1
InChIKey: XZVXEPPPQBLGMQ-HISQCTEXSA-N
Canonical SMILES: CC12C3C(OC=C(C3(C(C1O2)O)O)C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES: C[C@@]12[C@H]3[C@@H](OC=C([C@]3([C@@H]([C@@H]1O2)O)O)C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Synonyms: Sesamoside; 117479-87-5; Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester, (1aR,1bS,2S,5aR,6R,6aS)-; methyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate; Q2S45L3ZVB; CHEMBL2048637; SCHEMBL26561978; DTXSID00922430; …
Botanical Source: Lamiophlomis herba
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