3beta,14-Dihydroxy-12-Oxo-5beta-Card-20(22)-Enolide
[CAS# 2842-85-5]

Identification

• Name: 3beta,14-Dihydroxy-12-Oxo-5beta-Card-20(22)-Enolide
• Synonyms: 4-[(3S,5R,10S,13R,14S,17R)-3,14-Dihydroxy-12-Keto-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 5-Beta-Card-20(22)-Enolide, 3-Beta,14-Dihydroxy-12-Oxo-; Brn 1300407
• Molecular Formula: C₂₃H₃₂O₅
• Molecular Weight: 388.50
• CAS Registry Number: 2842-85-5
• SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@H](CC1)C[C@@H](O)CC2)C)CC3=O)CC[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C23H32O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-18,24,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17?,18?,21+,22+,23+/m1/s1
• InChIKey: ZXYZKJDCZKIVKY-SXJNBOBCSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 590.499°C at 760 mmHg (Cal.)
• Flash point: 204.314°C (Cal.)