Cephalosporin P1
[CAS# 28393-42-2]

Identification

• Name: Cephalosporin P1
• Synonyms: (2Z)-2-[(3R,4S,5S,6R,7R,8S,9S,10R,13R,14S,16S)-6,16-Diacetoxy-3,7-Dihydroxy-4,8,10,14-Tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Ylidene]-6-Methyl-Hept-5-Enoic Acid; (2Z)-2-[(3R,4S,5S,6R,7R,8S,9S,10R,13R,14S,16S)-6,16-Diacetoxy-3,7-Dihydroxy-4,8,10,14-Tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Ylidene]-6-Methylhept-5-Enoic Acid; (2Z)-2-[(3R,4S,5S,6R,7R,8S,9S,10R,13R,14S,16S)-6,16-Diacetyloxy-3,7-Dihydroxy-4,8,10,14-Tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Ylidene]-6-Methyl-Hept-5-Enoic Acid
• Molecular Formula: C₃₃H₅₀O₈
• Molecular Weight: 574.75
• CAS Registry Number: 28393-42-2
• SMILES: [C@]24([C@@]1([C@H](\C(=C(C(=O)O)/CCC=C(C)C)[C@H](C1)OC(=O)C)CC[C@H]2[C@]3(CC[C@H]([C@H]([C@@H]3[C@H]([C@@H]4O)OC(=O)C)C)O)C)C)C
• InChI: 1S/C33H50O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,18,22-25,27-29,36-37H,9,11-16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,23-,24+,25+,27-,28-,29+,31-,32+,33-/m1/s1
• InChIKey: YJJWILCYIMMPAS-VALXSNPUSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 666.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 203.4±25.0°C (Cal.)