Vernamycin Bdelta
[CAS# 29139-17-1]

Identification

• Name: Vernamycin Bdelta
• Molecular Formula: C₄₃H₅₀N₈O₁₀
• Molecular Weight: 838.90
• CAS Registry Number: 29139-17-1
• SMILES: Oc1cccnc1C(=O)NC5C(=O)N[C@H](C)C(=O)N2CCCC2C(=O)N(C)[C@@H](Cc3ccc(NC)cc3)C(=O)N6CCC(=O)CC6C(=O)NC(c4ccccc4)C(=O)OC5C
• InChI: 1S/C43H50N8O10/c1-24-40(57)50-20-9-12-30(50)41(58)49(4)32(22-26-14-16-28(44-3)17-15-26)42(59)51-21-18-29(52)23-31(51)37(54)48-35(27-10-6-5-7-11-27)43(60)61-25(2)34(38(55)46-24)47-39(56)36-33(53)13-8-19-45-36/h5-8,10-11,13-17,19,24-25,30-32,34-35,44,53H,9,12,18,20-23H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)/t24-,25?,30?,31?,32+,34?,35?/m1/s1
• InChIKey: CKARQVRBPFIZCR-BFLUFAABSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Boiling point: 1213.764°C at 760 mmHg (Cal.)
• Flash point: 687.859°C (Cal.)
• Refractive index: 1.656 (Cal.)