3beta,14-Dihydroxy-19-Oxocarda-5,20(22)-Dienolide
[CAS# 546-04-3]

Identification

• Name: 3beta,14-Dihydroxy-19-Oxocarda-5,20(22)-Dienolide
• Synonyms: (3S,10S,13R,14S)-3,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3S,10S,13R,14S)-3,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-1,2,3,4,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde; 4-18-00-02585 (Beilstein Handbook Reference)
• Molecular Formula: C₂₃H₃₀O₅
• Molecular Weight: 386.49
• CAS Registry Number: 546-04-3
• SMILES: [C@@]13(O)[C@@](C(CC1)C2=CC(OC2)=O)(CCC4C3CC=C5[C@@]4(CC[C@H](O)C5)C=O)C
• InChI: 1S/C23H30O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h2,10,13,16-19,25,27H,3-9,11-12H2,1H3/t16-,17?,18?,19?,21+,22+,23-/m0/s1
• InChIKey: FDFUXGSOHNJEAN-KQYWMCCWSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 602.157°C at 760 mmHg (Cal.)
• Flash point: 209.823°C (Cal.)