(3S,5S,8R,9S,10S,13R,17R)-5,14-Dihydroxy-13-Methyl-3-[(4R,6S)-4-Methylspiro[4,6,7,7a-Tetrahydro-3aH-[1,3]Dioxolo[4,5-d]Pyran-2,1'-Cyclopentane]-6-Yl]Oxy-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-10-Carbaldehyde
[CAS# 38561-79-4]

Identification

• Name: (3S,5S,8R,9S,10S,13R,17R)-5,14-Dihydroxy-13-Methyl-3-[(4R,6S)-4-Methylspiro[4,6,7,7a-Tetrahydro-3aH-[1,3]Dioxolo[4,5-d]Pyran-2,1'-Cyclopentane]-6-Yl]Oxy-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-10-Carbaldehyde
• Synonyms: (3S,5S,8R,9S,10S,13R,17R)-5,14-Dihydroxy-13-Methyl-3-[[(4R,6S)-4-Methyl-6-Spiro[4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-D]Pyran-2,1'-Cyclopentane]Yl]Oxy]-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3S,5S,8R,9S,10S,13R,17R)-5,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-3-[(4R,6S)-4-Methylspiro[4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-D]Pyran-2,1'-Cyclopentane]-6-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; 5-Beta-Card-20(22)-Enolide, 3-Beta-((3,4-O-Cyclopentylidene-2,6-Dideoxy-Beta-D-Ribo-Hexopyranosyl)Oxy)-5,14-Dihydroxy-19-Oxo-
• Molecular Formula: C₃₄H₄₈O₉
• Molecular Weight: 600.75
• CAS Registry Number: 38561-79-4
• SMILES: [C@@H]1(CC[C@]4([C@@](C1)(CC[C@H]5C3(CC[C@H](C2=CC(OC2)=O)[C@@]3(C)CC[C@H]45)O)O)C=O)O[C@H]8O[C@@H](C6C(OC7(O6)CCCC7)C8)C
• InChI: 1S/C34H48O9/c1-20-29-26(42-33(43-29)9-3-4-10-33)16-28(40-20)41-22-5-12-31(19-35)24-6-11-30(2)23(21-15-27(36)39-18-21)8-14-34(30,38)25(24)7-13-32(31,37)17-22/h15,19-20,22-26,28-29,37-38H,3-14,16-18H2,1-2H3/t20-,22+,23-,24+,25-,26?,28-,29?,30-,31+,32+,34?/m1/s1
• InChIKey: KZQGYUHMTZEZQB-VVZWOSLLSA-N

Properties

• Density: 1.331g/cm³ (Cal.)
• Boiling point: 754.026°C at 760 mmHg (Cal.)
• Flash point: 238.244°C (Cal.)