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| CAS No.: | 109664-02-0 |
| Molecular Formula | C₁₉H₂₂O₄ |
| Molecular Weight | 314.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Diterpenoids |
IUPAC Name: 1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione
InChI: InChI=1S/C19H22O4/c1-10(9-20)14-16(21)12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(23)17(14)22/h6-7,10,20-21H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKey: LGZFJHSOBYVDLA-JTQLQIEISA-N
Canonical SMILES: CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O
Isomeric SMILES: C[C@@H](CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O
Synonyms: Neocryptotanshinone; 109664-02-0; (+)-Neocryptotanshinone; NSC686517; 1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; CHEMBL1974436; (R)-3-Hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-1,4-dione; NCTS; …
Botanical Source: Bupleuri Radix, Salviae Miltiorrhizae Radix et Rhizoma
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