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| CAS No.: | 79498-31-0 |
| Molecular Formula | C₂₀H₂₈O₄ |
| Molecular Weight | 332.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Diterpenoids |
IUPAC Name: (1R,2R,4S,9R,10S,13S,16R)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-6,15-dione
InChI: InChI=1S/C20H28O4/c1-10-11-5-6-12-19(4)8-7-14(21)18(2,3)13(19)9-15(22)20(12,16(10)23)17(11)24/h11-13,15,17,22,24H,1,5-9H2,2-4H3/t11-,12-,13+,15+,17+,19-,20-/m0/s1
InChIKey: UCDVIBNDYLUWFP-MJTHGBBVSA-N
Canonical SMILES: CC1(C2CC(C34C(C2(CCC1=O)C)CCC(C3O)C(=C)C4=O)O)C
Isomeric SMILES: C[C@@]12CCC(=O)C([C@H]1C[C@H]([C@]34[C@H]2CC[C@H]([C@H]3O)C(=C)C4=O)O)(C)C
Synonyms: Glaucocalyxin A; 79498-31-0; (1R,2R,4S,9R,10S,13S,16R)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-6,15-dione; CHEMBL549359; HY-N2112; BDBM50552053; AKOS037514678; AC-34443; …
Botanical Source: Rabdosia japonica (Burm. f.) Hara
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