Phorbol 12,13-Dibutyrate
[CAS# 37558-16-0]

Identification

• Name: Phorbol 12,13-Dibutyrate
• Synonyms: Butanoic Acid, (1Ar,1Bs,4Ar,7Bs,8R,9R,9As)-1,1A,1B,4,4A,5,7A,7B,8,9-Decahydro-4A,7B-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-9Ah-Cyclopropa(3,4)Benz(1,2-E)Azulene-9,9A-Diyl Ester; Butanoic Acid, Diester With 1,1A,1B,4,4A,7A,7B,8,9,9A-Decahydro-4A,7B,9,9A-Tetrahydro-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5H-Cyclopropya(3,4)Benz(1,2-E)Azulen-5-One, (1Ar-(1Aalpha,1Bbeta,4Abeta,7Aalpha,7Balpha,8Alpha,9Beta,9Aalpha))-; C03634
• Molecular Formula: C₂₈H₄₀O₈
• Molecular Weight: 504.62
• CAS Registry Number: 37558-16-0
• SMILES: [C@@]12(CC(=C[C@@H]3[C@@]([C@@H]1C=C(C2=O)C)([C@@H]([C@H]([C@@]4([C@H]3C4(C)C)OC(CCC)=O)OC(CCC)=O)C)O)CO)O
• InChI: 1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1
• InChIKey: BQJRUJTZSGYBEZ-YVQNUNKESA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 623.448°C at 760 mmHg (Cal.)
• Flash point: 199.302°C (Cal.)
• solubility: Soluble to 50 mM in DMSO

References

• (1): Yang et al.. Genetically encoded molecules for inducibly inactivating CaV channels, Nature Chemical Biology, 2007