Microcystin LR, desmethyl ("Asp3-MCLR") - ≥94% , CAS No.120011-66-7

CAS: 120011-66-7 Cat. No.: M333636 Molecular Weight: 981.14 PubChem CID: 6440025

GRADE & PURITY ≥94%

Synonyms

(5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(5R, 8S, 11R, 15S, 18S, 19S, 22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E, 3E, 5S, 6S)-6-methoxy-3, 5-dimethyl-7-phenylhepta-1, 3-dienyl]-1, 5, 19-trimethyl-2-methylidene-8-(2-methylpropyl)-3, 6, 9, 13, 16, 20, 25-heptaoxo-1, 4, 7, 10, 14, 17, 21-heptazacyclopentacosane-11

Specifications & Purity

≥94%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥94%

Names and Identifiers

• Canonical Smiles: CC1C(NC(=O)C(NC(=O)CC(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C
• IUPAC Name: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
• InChIKey: VYEBKSHVYPDMQQ-MREVJOSWSA-N
• INCHI: 1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
• Isomeric SMILES: C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C
• PubChem CID: 6440025
• UN Number: 3462
• Packing Group: I
• Molecular Weight: 981.14