Dihydromycoplanecin A
[CAS# 79003-68-2]

Identification

• Name: Dihydromycoplanecin A
• Synonyms: Mycoplanecin A, 1-(N-(2-Hydroxy-1-Oxobutyl)-N-Methylvaline)-; Mycoplanecin A, Dihydro-; Aids-007822
• Molecular Formula: C₆₁H₁₀₄N₁₀O₁₃
• Molecular Weight: 1185.55
• CAS Registry Number: 79003-68-2
• SMILES: [C@@H]1(N(C(=O)[C@@H](N(C(=O)C(O)CC)C)C(C)C)CC(C1)CC)C(=O)N([C@@H]2C(=O)N[C@H](C(=O)N4[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N3[C@H](C(=O)N([C@@H](C(=O)NCC(O[C@@H]2C)=O)CC(C)C)C)CCC3)C(C)C)C)CCC(C)C)CC(C4)C)CC(C)C)C
• InChI: 1S/C61H104N10O13/c1-19-40-29-46(71(32-40)61(83)50(37(11)12)67(17)59(81)47(72)20-2)58(80)68(18)51-39(14)84-48(73)30-62-52(74)44(27-35(7)8)65(15)57(79)43-22-21-25-69(43)60(82)49(36(9)10)66(16)55(77)41(24-23-33(3)4)63-53(75)45-28-38(13)31-70(45)56(78)42(26-34(5)6)64-54(51)76/h33-47,49-51,72H,19-32H2,1-18H3,(H,62,74)(H,63,75)(H,64,76)/t38?,39-,40?,41+,42+,43+,44-,45+,46+,47?,49+,50+,51+/m1/s1
• InChIKey: FKXYYGSDGSWQIM-MCVTUQHGSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 1279.443°C at 760 mmHg (Cal.)
• Flash point: 727.581°C (Cal.)