Rutamycin
[CAS# 1404-59-7]

Identification

• Name: Rutamycin
• Synonyms: (1R,4S,5E,5'R,6'R,7E,10S,11R,12S,14R,15S,16S,18R,19S,20R,21E,25R,27S,29S)-4-Ethyl-11,12,15,19-Tetrahydroxy-6'-[(2S)-2-Hydroxypropyl]-5',10,12,14,16,18,20,29-Octamethyl-Spiro[24,28-Dioxabicyclo[23.3.1]Nonacosa-5,7,21-Triene-27,2'-Tetrahydropyran]-13,17,23-Trione; (1R,4S,5E,5'R,6'R,7E,10S,11R,12S,14R,15S,16S,18R,19S,20R,21E,25R,27S,29S)-4-Ethyl-11,12,15,19-Tetrahydroxy-6'-[(2S)-2-Hydroxypropyl]-5',10,12,14,16,18,20,29-Octamethylspiro[24,28-Dioxabicyclo[23.3.1]Nonacosa-5,7,21-Triene-27,2'-Tetrahydropyran]-13,17,23-Trione; (1R,4S,5E,5'R,6'R,7E,10S,11R,12S,14R,15S,16S,18R,19S,20R,21E,25R,27S,29S)-4-Ethyl-11,12,15,19-Tetrahydroxy-6'-[(2S)-2-Hydroxypropyl]-5',10,12,14,16,18,20,29-Octamethyl-Spiro[24,28-Dioxabicyclo[23.3.1]Nonacosa-5,7,21-Triene-27,2'-Oxane]-13,17,23-Trione
• Molecular Formula: C₄₄H₇₂O₁₁
• Molecular Weight: 777.05
• CAS Registry Number: 1404-59-7
• SMILES: [C@]23(O[C@H]1[C@@H]([C@H](OC(=O)\C=C\[C@H]([C@H](O)[C@H](C(=O)[C@H]([C@H](O)[C@H](C(=O)[C@@](O)([C@H](O)[C@H](C/C=C/C=C/[C@H](CC1)CC)C)C)C)C)C)C)C2)C)O[C@@H]([C@@H](CC3)C)C[C@@H](O)C
• InChI: 1S/C44H72O11/c1-11-33-16-14-12-13-15-27(4)41(50)43(10,52)42(51)32(9)40(49)31(8)39(48)30(7)38(47)26(3)17-20-37(46)53-36-24-44(54-34(19-18-33)29(36)6)22-21-25(2)35(55-44)23-28(5)45/h12-14,16-17,20,25-36,38,40-41,45,47,49-50,52H,11,15,18-19,21-24H2,1-10H3/b13-12+,16-14+,20-17+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41-,43+,44-/m1/s1
• InChIKey: LVWVMRBMGDJZLM-WXPRFNGZSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 883.406°C at 760 mmHg (Cal.)
• Flash point: 253.047°C (Cal.)