3beta,14,16beta-Trihydroxy-5beta-Card-20(22)-Enolide 16-Formate
[CAS# 514-21-6]

Identification

• Name: 3beta,14,16beta-Trihydroxy-5beta-Card-20(22)-Enolide 16-Formate
• Synonyms: Formic Acid [(3S,5R,10S,13R,14S,16S,17R)-3,14-Dihydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester; Formic Acid [(3S,5R,10S,13R,14S,16S,17R)-3,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester; [(3S,5R,10S,13R,14S,16S,17R)-3,14-Dihydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Methanoate
• Molecular Formula: C₂₄H₃₄O₆
• Molecular Weight: 418.53
• CAS Registry Number: 514-21-6
• EINECS: 208-179-9
• SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@H](CC1)C[C@@H](O)CC2)C)CC3)C[C@H](OC=O)[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C24H34O6/c1-22-7-5-16(26)10-15(22)3-4-18-17(22)6-8-23(2)21(14-9-20(27)29-12-14)19(30-13-25)11-24(18,23)28/h9,13,15-19,21,26,28H,3-8,10-12H2,1-2H3/t15-,16+,17?,18?,19+,21+,22+,23-,24+/m1/s1
• InChIKey: WPPUBSWJDJKYDK-DMQWCLGJSA-N