12-0-Retinoylphorbol 13-acetate
[CAS# 80188-99-4]

Identification

• Name: 12-0-Retinoylphorbol 13-acetate
• Synonyms: Retinoic Acid, 9A-(Acetyloxy)-1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-4A,7B-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-1H-Cyclopropa(3,4)Benz(1,2-E)Azulen-9-Yl Ester, (1Ar-(1A-Alpha,1B-Beta,4A-Beta,7A-Alpha,7B-Alpha,8-Alpha,9-Beta,9A-Alpha))-; 12-0-Retinoylphorbol 13-Acetate; 12-O-Retinoylphorbol-13-Acetate
• Molecular Formula: C₄₂H₅₆O₈
• Molecular Weight: 688.90
• CAS Registry Number: 80188-99-4
• SMILES: [C@@]14(OC(=O)C)[C@@H](C1(C)C)[C@H]3[C@@](O)([C@H]2[C@@](O)(C(=O)C(=C2)C)CC(=C3)CO)[C@@H]([C@H]4OC(=O)\C=C(\C=C\C=C(\C=C\C5=C(CCCC5(C)C)C)C)C)C
• InChI: 1S/C42H56O8/c1-24(16-17-31-26(3)15-12-18-38(31,7)8)13-11-14-25(2)19-34(45)49-37-28(5)41(48)32(35-39(9,10)42(35,37)50-29(6)44)21-30(23-43)22-40(47)33(41)20-27(4)36(40)46/h11,13-14,16-17,19-21,28,32-33,35,37,43,47-48H,12,15,18,22-23H2,1-10H3/b14-11+,17-16+,24-13+,25-19+/t28-,32+,33-,35-,37-,40-,41-,42-/m1/s1
• InChIKey: GTNCUWBKHZZECN-IXTPSRJDSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 784.368°C at 760 mmHg (Cal.)
• Flash point: 231.191°C (Cal.)