12-Deoxyphorbol 13-Phenylacetate
[CAS# 58821-98-0]

Identification

• Name: 12-Deoxyphorbol 13-Phenylacetate
• Synonyms: Brn 1898359; Benzeneacetic Acid, (1Ar,1Bs,4Ar,7As,7Br,8R,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)Azulen-9A-Yl Ester; Ccris 6293
• Molecular Formula: C₂₈H₃₄O₆
• Molecular Weight: 466.57
• CAS Registry Number: 58821-98-0
• SMILES: [C@@]25(OC(=O)CC1=CC=CC=C1)C(C2(C)C)[C@H]4[C@@](O)([C@H]3[C@@](O)(C(=O)C(=C3)C)CC(=C4)CO)[C@@H](C5)C
• InChI: 1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3/t17-,20+,21-,23?,26-,27+,28-/m1/s1
• InChIKey: JAMGGIDPOXFRAM-RFYIAXDNSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 633.417°C at 760 mmHg (Cal.)
• Flash point: 209.084°C (Cal.)