12-O-Hexadecanoylphorbol-13-Acetate
[CAS# 20839-12-7]

Identification

• Name: 12-O-Hexadecanoylphorbol-13-Acetate
• Synonyms: 5H-Cyclopropa(3,4)Benz(1,2-E)Azulen-5-One, 1,1A-Alpha,1B-Beta,4,4A,7A-Alpha,7B,8,9,9Adecahydro-4A-Beta,7B-Alpha,9-Beta,9A-Alpha-Tetrahydroxy-3-(Hydroxymethyl)-1,1,6,8A-Tetramethyl-, 9A-Acetate 9-Hexadecanoate
• Molecular Formula: C₃₈H₆₀O₈
• Molecular Weight: 644.89
• CAS Registry Number: 20839-12-7
• SMILES: [C@H]12C(OC(=O)C)(C1(C)C)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]([C@@]3(O)[C@H]2C=C(C[C@@]4(O)[C@H]3C=C(C4=O)C)CO)C
• InChI: 1S/C38H60O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(41)45-34-26(3)37(44)29(32-35(5,6)38(32,34)46-27(4)40)22-28(24-39)23-36(43)30(37)21-25(2)33(36)42/h21-22,26,29-30,32,34,39,43-44H,7-20,23-24H2,1-6H3/t26-,29+,30-,32-,34+,36-,37-,38?/m1/s1
• InChIKey: DPSHFDIHUAPDMN-CJYNJDBZSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 716.283°C at 760 mmHg (Cal.)
• Flash point: 210.248°C (Cal.)