12-O-(12-N-Dansylaminododecanoyl)Phorbol
[CAS# 98897-17-7]

Identification

• Name: 12-O-(12-N-Dansylaminododecanoyl)Phorbol
• Synonyms: Dansyl-Tpa-13-Desacetate; Dodecanoic Acid, 12-(((5-(Dimethylamino)-1-Naphthalenyl)Sulfonyl)Amino)-, 1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-4A,7B,9A-Trihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-1H-Cyclopropa(3,4)Benz(1,2-E)Azulen-9-Yl Ester, (1Ar-(1A
• Molecular Formula: C₄₄H₆₂N₂O₉S
• Molecular Weight: 795.04
• CAS Registry Number: 98897-17-7
• SMILES: [C@H]46C1C(O)(C1(C)C)[C@H](OC(=O)CCCCCCCCCCCN[S](=O)(=O)C2=C3C(=CC=C2)C(=CC=C3)N(C)C)[C@H]([C@]4(O)[C@H]5[C@@](O)(C(=O)C(=C5)C)CC(=C6)CO)C
• InChI: 1S/C44H62N2O9S/c1-28-24-36-42(50,39(28)49)26-30(27-47)25-33-38-41(3,4)44(38,52)40(29(2)43(33,36)51)55-37(48)22-14-12-10-8-7-9-11-13-15-23-45-56(53,54)35-21-17-18-31-32(35)19-16-20-34(31)46(5)6/h16-21,24-25,29,33,36,38,40,45,47,50-52H,7-15,22-23,26-27H2,1-
• InChIKey: XEBYKMZACZDPNP-JUVIYOJNSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 882.62°C at 760 mmHg (Cal.)
• Flash point: 487.591°C (Cal.)