Desertomycin B
[CAS# 143629-44-1]

Identification

• Name: Desertomycin B
• Synonyms: Desertomycin D; Oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one, 8,10,16,20,24,26,28,30,32,34,26,28-dodecahydroxy-23-(α-D-mannopyranosyloxy)-3,7,9,15,19,21,31,33-octamethyl-42-((1R)-1-((2R)-tetrahydro-5-hydroxy-2-furanyl)ethyl)-, (3E,7S,8R,9S,10S,13E,15S,16S,17E,19S,20R,21E,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,39E,42S)-
• Molecular Formula: C₆₁H₁₀₆O₂₂
• Molecular Weight: 1191.48
• CAS Registry Number: 143629-44-1
• SMILES: O=C\3OC([C@H](C)C1OC(O)CC1)C/C=C\C(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)CC(O)C(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)/C=C(/C)C(O)C(/C=C\C(O)C(C=CCCC(O)C(C)C(O)C(C)CC/C=C/3C)C)C
• InChI: 1S/C61H106O22/c1-31-14-10-11-18-45(68)36(6)55(74)32(2)15-12-16-34(4)60(79)81-49(39(9)50-22-23-53(72)80-50)19-13-17-40(63)25-41(64)27-46(69)37(7)56(75)38(8)47(70)28-42(65)26-43(66)29-48(71)51(24-35(5)54(73)33(3)20-21-44(31)67)82-61-59(78)58(77)57(76)52(30-62)83-61/h10,13-14,16-17,20-21,24,31-33,36-59,61-78H,11-12,15,18-19,22-23,25-30H2,1-9H3/b14-10?,17-13-,21-20-,34-16-,35-24-/t31?,32?,33?,36?,37?,38?,39-,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52+,53?,54?,55?,56?,57+,58-,59-,61-/m0/s1
• InChIKey: ZQGMDHCZCLGAKC-QWZFCDENSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 1271.78°C at 760 mmHg (Cal.)
• Flash point: 336.287°C (Cal.)
• Refractive index: 1.594 (Cal.)