Phorbol 12,13-Diacetate
[CAS# 24928-15-2]

Identification

• Name: Phorbol 12,13-Diacetate
• Synonyms: 5H-Cyclopropa(3,4)Benz(1,2-E)Azulen-5-One, 1,1A-Alpha,16-Beta,4,4A,7A-Alpha,7B,8,9,9A-Decahydro-4A-Beta,7B-Alpha,9-Beta,9A-Alpha-Tetrahydroxy-3-(Hydroxymethyl)-1,1,6,8-Alpha-Tetramethyl-, 9,9A-Diacetate, (+); 5H-Cyclopropa(3,4)Benz(1,2-E)Azulen-5-One, 9,9A-Bis(Acetyloxy)-1,1A,1B,4,4A,7A,7B,8,9,9A-Decahydro-4A,7B-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-, (1Ar-(1Aalpha,1Bbeta,4Abeta,7Aalpha,7Balpha,8Alpha,9Beta,9Aalpha))-; 9,9A-Bis(Acetyloxy)-1,1A,1B,4,4A,7A,7B,8,9,9A-Decahydro-4A,7B-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5H-Cyclopropa(3,4)Benz(1,2-E)Azulen-5-One (1Ar-(1Aalpha,1Bbeta,4Abeta,7Aalpha,7Balpha,8Alpha,9Beta,9Aalpha))-
• Molecular Formula: C₂₄H₃₂O₈
• Molecular Weight: 448.51
• CAS Registry Number: 24928-15-2
• SMILES: [C@H]12[C@](OC(=O)C)(C1(C)C)[C@H](OC(=O)C)[C@H]([C@@]3(O)[C@H]2C=C(C[C@@]4(O)[C@H]3C=C(C4=O)C)CO)C
• InChI: 1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18-,20-,22-,23-,24-/m1/s1
• InChIKey: OMHXSAMFEJVCPT-XQOWHXTBSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 585.734°C at 760 mmHg (Cal.)
• Flash point: 195.41°C (Cal.)