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122752-20-9

AlkaPlorer ID: AK034045

Synonym: '', 'Mycalolide C'

IUPAC Name: [(E,3R,4R,5S,6R,9S,10S)-4-acetyloxy-1-[formyl(methyl)amino]-11-[(10S,11R,13E,16S,20S,21R,22S)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl] (2R)-2-methoxypropanoate

Structure

SMILES: CO[C@H]1C/C=C\C2=NC(=CO2)C2=NC(=CO2)C2=NC(=CO2)[C@@H](OC)[C@@H](C)C(=O)/C=C/C[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CC[C@@H](OC(=O)[C@@H](C)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)[C@@H]1C

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InChI: InChI=1S/C51H72N4O16/c1-29(19-20-42(71-51(61)34(6)62-9)33(5)47(69-35(7)57)30(2)21-22-55(8)28-56)43(64-11)24-44-32(4)41(63-10)17-14-18-45-52-38(26-66-45)49-54-39(27-68-49)50-53-37(25-67-50)48(65-12)31(3)40(59)16-13-15-36(58)23-46(60)70-44/h13-14,16,18,21-22,25-34,36,41-44,47-48,58H,15,17,19-20,23-24H2,1-12H3/b16-13+,18-14-,22-21+/t29-,30+,31-,32+,33-,34+,36-,41-,42+,43-,44-,47+,48-/m0/s1

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InChIKey: IQWXGENIKCGPFN-WXFXDICLSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 997.149

TPSA？: 251.51999999999992

MolLogP？: 7.128300000000008

Number of H-Donors: 1

Number of H-Acceptors: 19

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information