17-Debromo-29-De(1-Hydroxyethyl)-29-(Hydroxymethyl)Aplysiatoxin
[CAS# 66671-95-2]

Identification

• Name: 17-Debromo-29-De(1-Hydroxyethyl)-29-(Hydroxymethyl)Aplysiatoxin
• Synonyms: 2,6,10,17-Tetraoxatricyclo(11.3.1.11,5)Octadecane-7,11-Dione,13-Hydroxy-9-(Hydroxymethyl)-3-(4-(3-Hydroxyphenyl)-4-Methoxy-1-Methylbutyl)-4,14,16,16-Tetramethyl-, (1S-(1R*,3S*(1R*,4R*),4R*,5R*,9S*,13R*,14S*))-; Aplysiatoxin, 17-Debromo-29-De(1-Hydroxyethyl)-29-(Hydroxymethyl)-
• Molecular Formula: C₃₁H₄₆O₁₀
• Molecular Weight: 578.70
• CAS Registry Number: 66671-95-2
• SMILES: C4=C(C(CCC(C2OC13OC(CC(OC(CC(OC(C1)C2C)=O)CO)=O)(C(C)CC3(C)C)O)C)OC)C=CC=C4O
• InChI: 1S/C31H46O10/c1-18(10-11-24(37-6)21-8-7-9-22(33)12-21)28-20(3)25-15-31(40-28)29(4,5)14-19(2)30(36,41-31)16-27(35)38-23(17-32)13-26(34)39-25/h7-9,12,18-20,23-25,28,32-33,36H,10-11,13-17H2,1-6H3
• InChIKey: GKTXURNRIDXUNG-UHFFFAOYSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 759.783°C at 760 mmHg (Cal.)
• Flash point: 240.599°C (Cal.)