$160.00
| CAS No.: | 62687-22-3 |
| Molecular Formula | C₃₂H₄₀O₈ |
| Molecular Weight | 552.7g/mol |
| Purity | HPLC>98% |
| Chemical Family | Terpenoids |
| Weight |
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IUPAC Name: [(1’R,2’R,3R,3aR,4S,5’S,6R,6aR,9’S,9aR,9bR,10’S,11’R)-2′,6-dihydroxy-2′,6,9,11′-tetramethyl-6′-methylidene-2,7′-dioxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-3,15′-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate
InChI: InChI=1S/C32H40O8/c1-15-7-8-19-21(15)24-22(20(38-17(3)33)13-29(19,5)36)32(27(35)40-24)14-31-12-11-28(32,4)25(31)23-18(9-10-30(31,6)37)16(2)26(34)39-23/h7,11-12,18-25,36-37H,2,8-10,13-14H2,1,3-6H3/t18-,19+,20-,21-,22+,23-,24+,25-,28+,29+,30+,31-,32-/m0/s1
InChIKey: SZQWAXGDCUONOB-QKARTHDOSA-N
Canonical SMILES: CC1=CCC2C1C3C(C(CC2(C)O)OC(=O)C)C4(CC56C=CC4(C5C7C(CCC6(C)O)C(=C)C(=O)O7)C)C(=O)O3
Isomeric SMILES: CC1=CC[C@@H]2[C@H]1[C@@H]3[C@@H]([C@H](C[C@@]2(C)O)OC(=O)C)[C@@]4(C[C@@]56C=C[C@@]4([C@@H]5[C@@H]7[C@@H](CC[C@@]6(C)O)C(=C)C(=O)O7)C)C(=O)O3
Synonyms: Handelin; 62687-22-3; CHEMBL3264099; CHEBI:189103; [(1’R,2’R,3R,3aR,4S,5’S,6R,6aR,9’S,9aR,9bR,10’S,11’R)-2′,6-dihydroxy-2′,6,9,11′-tetramethyl-6′-methylidene-2,7′-dioxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-3,15′-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate; AC-34991; DA-53832; [(1’R,2’R,3R,3aR,4S,5’S,6R,6aR,9’S,9aR,9bR,10’S,11’R)-2′,6-dihydroxy-2′,6,9,11′-tetramethyl-6′-methylidene-2,7′-dioxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]uran-3,15′-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate
Botanical Source: Dendranthema indicum
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