(1'R,2S,4'S,5S,6R,8'R,12'S,13'S,20'R,21'R,24'S)-6-[(2S)-2-Butanyl]-21',24'-dihydroxy-22'-(hydroxymethyl)-5,11',13'-trimethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1^4,8.0 ^20,24]pentacosa[10,14,16,22]tetraen]-12'-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
[CAS# 86629-72-3]

Identification

• Name: (1'R,2S,4'S,5S,6R,8'R,12'S,13'S,20'R,21'R,24'S)-6-[(2S)-2-Butanyl]-21',24'-dihydroxy-22'-(hydroxymethyl)-5,11',13'-trimethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1^4,8.0 ^20,24]pentacosa[10,14,16,22]tetraen]-12'-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
• Synonyms: 4a-Hydroxyavermectin B1; 5-O-Demethyl-26-hydroxyavermectin A1a
• Molecular Formula: C₄₈H₇₂O₁₅
• Molecular Weight: 889.08
• CAS Registry Number: 86629-72-3
• SMILES: O=C5O[C@H]2C[C@H](O[C@]/1(O[C@H]([C@@H](C)CC)[C@H](\C=C\1)C)C2)C/C=C(\C)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC)C3)[C@@H](OC)C4)[C@H](/C=C/C=C6/[C@@]7(O)[C@H]5/C=C(/CO)[C@@H](O)[C@H]7OC6)C
• InChI: 1S/C48H72O15/c1-10-25(2)43-28(5)16-17-47(63-43)22-34-19-33(62-47)15-14-27(4)42(60-39-21-37(55-9)44(30(7)58-39)61-38-20-36(54-8)40(50)29(6)57-38)26(3)12-11-13-32-24-56-45-41(51)31(23-49)18-35(46(52)59-34)48(32,45)53/h11-14,16-18,25-26,28-30,33-45,49-51,53H,10,15,19-24H2,1-9H3/b12-11+,27-14+,32-13-/t25-,26-,28-,29-,30-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,47+,48+/m0/s1
• InChIKey: JHPQMIYGLDWIFR-RLKQDIOGSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 970.866°C at 760 mmHg (Cal.)
• Flash point: 277.167°C (Cal.)