Rosmanol

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Catalog Number ACM80225532-1
CAS 80225-53-2
Structure {[CurrentData.Name]}
IUPAC Name (1R,8S,9S,10S)-3,4,8-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Synonyms [4aR-(4aa,9b,10a,10ab)]-1,3,4,9,10,10a-Hexahydro-5,6,9-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-2H-10,4a-(epoxymethano)phenanthren-12-one
Molecular Weight 346.42
Molecular Formula C20H26O5
Canonical SMILES CC(C)C1=C(C(=C2C(=C1)[C@@H]([C@@H]3[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O)O
Inchi InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3/t14-,16+,17-,20-/m0/s1
InChIKey LCAZOMIGFDQMNC-FORWCCJISA-N
Melting Point 212-213 °C
Purity 98%
Density 1.33 g/ml
Appearance White powder

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