(5beta)-3beta,12beta,14-Trihydroxycardanolide
[CAS# 4442-12-0]

Identification

• Name: (5beta)-3beta,12beta,14-Trihydroxycardanolide
• Synonyms: (4R)-4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Tetrahydrofuran-2-One; (4R)-4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Tetrahydrofuranone; (5Beta)-3Beta,12Beta,14-Trihydroxycardanolide
• Molecular Formula: C₂₃H₃₆O₅
• Molecular Weight: 392.53
• CAS Registry Number: 4442-12-0
• EINECS: 224-666-9
• SMILES: [C@@]15([C@]([C@@H](C[C@@H]2[C@@]3([C@H](CC[C@@H]12)C[C@H](CC3)O)C)O)([C@@H]([C@H]4CC(OC4)=O)CC5)C)O
• InChI: 1S/C23H36O5/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/h13-19,24-25,27H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+,21-,22-,23-/m0/s1
• InChIKey: MWPLZPAHTHIKQB-YNFYBLEISA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 579.781°C at 760 mmHg (Cal.)
• Flash point: 198.251°C (Cal.)