2-[(5S,6R,7R,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-16-Ethyl-15-(Hydroxymethyl)-5,9,13-Trimethyl-2,10-Dioxo-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde
[CAS# 127521-69-1]

Identification

• Name: 2-[(5S,6R,7R,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-16-Ethyl-15-(Hydroxymethyl)-5,9,13-Trimethyl-2,10-Dioxo-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde
• Synonyms: 2-[(5S,6R,7R,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-16-Ethyl-15-(Hydroxymethyl)-5,9,13-Trimethyl-2,10-Dioxo-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde; 2-[(5S,6R,7R,9R,11E,13E,15R,16R)-6-[[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-16-Ethyl-15-(Hydroxymethyl)-5,9,13-Trimethyl-2,10-Dioxo-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde; 2-[(5S,6R,7R,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-16-Ethyl-2,10-Diketo-5,9,13-Trimethyl-15-Methylol-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde
• Molecular Formula: C₃₁H₅₁NO₈
• Molecular Weight: 565.75
• CAS Registry Number: 127521-69-1
• SMILES: [C@@H]2(O[C@H]1[C@H](C[C@H](C(=O)\C=C\C(=C\[C@@H]([C@H](OC(=O)CC[C@@H]1C)CC)CO)C)C)CC=O)O[C@@H](C[C@H](N(C)C)[C@H]2O)C
• InChI: 1S/C31H51NO8/c1-8-27-24(18-34)15-19(2)9-11-26(35)21(4)16-23(13-14-33)30(20(3)10-12-28(36)39-27)40-31-29(37)25(32(6)7)17-22(5)38-31/h9,11,14-15,20-25,27,29-31,34,37H,8,10,12-13,16-18H2,1-7H3/b11-9+,19-15+/t20-,21+,22+,23-,24+,25-,27+,29+,30+,31-/m0/s1
• InChIKey: IBYMOKAONAMZRG-AAUSAPTBSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 733.0±60.0°C at 760 mmHg (Cal.)
• Flash point: 397.1±32.9°C (Cal.)