Neocaesalpin O
Request a quote| Catalog Number | ACM1053189539 |
| CAS | 1053189-53-9 |
| IUPAC Name | [(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-5,6-diacetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-9-oxo-2,3,5,6,6a,11a-hexahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl] acetate |
| Molecular Weight | 506.54 |
| Molecular Formula | C26H34O10 |
| Canonical SMILES | CC(=O)OC1CCC(C2(C1(C3C=C4C(=CC(=O)O4)C(C3C(C2OC(=O)C)OC(=O)C)(C)O)C)O)(C)C |
| Inchi | InChI=1S/C26H34O10/c1-12(27)33-18-8-9-23(4,5)26(32)22(35-14(3)29)21(34-13(2)28)20-16(24(18,26)6)10-17-15(25(20,7)31)11-19(30)36-17/h10-11,16,18,20-22,31-32H,8-9H2,1-7H3/t16-,18-,20-,21+,22-,24-,25+,26+/m0/s1 |
| InChIKey | XKLBSFHFNUCCKY-UXYMEOMDSA-N |
| Purity | 98% |
| Appearance | Powder |
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