Phorbol 12-N-Methylanthranilate
[CAS# 80998-07-8]

Identification

• Name: Phorbol 12-N-Methylanthranilate
• Synonyms: Benzoic Acid, 2-(Methylamino)-, 9A-(Acetyloxy)-1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-4A,7B-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-1H-Cyclopropa(3,4)Benz(1,2-E)Azulen-9-Yl Ester, (1Ar-(1A-Alpha,1B-Beta,4A-Beta,7A-Alpha,7B-Alpha,8-Alpha,9-Beta,9A-Alpha))-; Ccris 7233; Sapintoxin D
• Molecular Formula: C₃₀H₃₇NO₈
• Molecular Weight: 539.62
• CAS Registry Number: 80998-07-8
• SMILES: [C@@]14(OC(=O)C)[C@@H](C1(C)C)[C@H]3[C@@](O)([C@H]2[C@@](O)(C(=O)C(=C2)C)CC(=C3)CO)[C@@H]([C@H]4OC(=O)C5=CC=CC=C5NC)C
• InChI: 1S/C30H37NO8/c1-15-11-22-28(36,24(15)34)13-18(14-32)12-20-23-27(4,5)30(23,39-17(3)33)25(16(2)29(20,22)37)38-26(35)19-9-7-8-10-21(19)31-6/h7-12,16,20,22-23,25,31-32,36-37H,13-14H2,1-6H3/t16-,20+,22-,23-,25-,28-,29-,30-/m1/s1
• InChIKey: UPAIGGMQTARRMN-CSSCWBSHSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 695.789°C at 760 mmHg (Cal.)
• Flash point: 374.6°C (Cal.)