Microcystin-Lr
[CAS# 101043-37-2]

Identification

• Classification: Analytical chemistry >> Standard >> Analytical standard
• Name: Microcystin-Lr
• Synonyms: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-Guanidinopropyl)-8-Isobutyl-18-[(1E,3E,5S,6S)-6-Methoxy-3,5-Dimethyl-7-Phenyl-Hepta-1,3-Dienyl]-1,5,12,19-Tetramethyl-2-Methylene-3,6,9,13,16,20,25-Heptaoxo-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid; (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-Guanidinopropyl)-8-Isobutyl-18-[(1E,3E,5S,6S)-6-Methoxy-3,5-Dimethyl-7-Phenylhepta-1,3-Dienyl]-1,5,12,19-Tetramethyl-2-Methylene-3,6,9,13,16,20,25-Heptaoxo-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid; (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-Guanidinopropyl)-8-Isobutyl-3,6,9,13,16,20,25-Heptaketo-18-[(1E,3E,5S,6S)-6-Methoxy-3,5-Dimethyl-7-Phenyl-Hepta-1,3-Dienyl]-1,5,12,19-Tetramethyl-2-Methylene-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid
• Molecular Formula: C₄₉H₇₄N₁₀O₁₂
• Molecular Weight: 995.18
• CAS Registry Number: 101043-37-2
• SMILES: [C@H]1(NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)\C=C\C(=C\[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)C)C)C(O)=O)C)=C)C)CC(C)C)C(O)=O)C)CCCN=C(N)N
• InChI: 1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
• InChIKey: ZYZCGGRZINLQBL-GWRQVWKTSA-N

Properties

• Density: 1.299g/cm³ (Cal.)