$96.00
| CAS No.: | 29836-27-9 |
| Molecular Formula | C₁₆H₂₄O₁₁ |
| Molecular Weight | 392.35g/mol |
| Purity | HPLC>97% |
| Chemical Family | Iridoids |
| Weight |
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IUPAC Name: (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
InChI: InChI=1S/C16H24O11/c1-16(24)2-6(18)8-5(13(22)23)4-25-14(9(8)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4,6-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)/t6-,7-,8+,9-,10-,11+,12-,14+,15+,16+/m1/s1
InChIKey: YSIFYNVXJOGADM-KDYWOABDSA-N
Canonical SMILES: CC1(CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O
Isomeric SMILES: C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
Synonyms: Shanzhiside; 29836-27-9; Shanziside; CHEBI:80902; (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid; 1alpha-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydro-5alpha,7alpha-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid; SCHEMBL306203; CHEMBL518392; …
Botanical Source: Lamiophlomis herba
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