(5beta)-12,beta,14-Dihydroxy-3-Oxocard-20(22)-Enolide
[CAS# 4442-17-5]

Identification

• Name: (5beta)-12,beta,14-Dihydroxy-3-Oxocard-20(22)-Enolide
• Synonyms: 4-[(5R,10S,12R,13S,14S,17R)-12,14-Dihydroxy-3-Keto-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; (5Beta)-12,Beta,14-Dihydroxy-3-Oxocard-20(22)-Enolide; 12-Beta,14-Dihydroxy-3-Oxo-5-Beta-Card-20(22)-Enolide
• Molecular Formula: C₂₃H₃₂O₅
• Molecular Weight: 388.50
• CAS Registry Number: 4442-17-5
• EINECS: 224-667-4
• SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@H](CC1)CC(=O)CC2)C)C[C@H]3O)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/h9,14,16-19,25,27H,3-8,10-12H2,1-2H3/t14-,16-,17?,18?,19-,21+,22+,23+/m1/s1
• InChIKey: POWMMMXVDBMFMP-IYGQVCONSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 589.127°C at 760 mmHg (Cal.)
• Flash point: 203.771°C (Cal.)