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30-Hydroxymycalolide

AlkaPlorer ID: AK005643

Synonym: '30-Hydroxymycalolide A'

IUPAC Name: [(E,3R,4S,5R,6R,9R,10S)-1-[formyl(methyl)amino]-6-hydroxy-11-[(10S,11S,13Z,16S,20R,21S,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-4-yl] acetate

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](O)[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/C47H66N4O14/c1-27(17-18-38(56)29(3)44(64-32(6)53)28(2)19-20-51(7)26-52)40(59-9)22-41-31(5)39(58-8)15-12-16-42-48-35(24-61-42)46-50-36(25-63-46)47-49-34(23-62-47)45(60-10)30(4)37(55)14-11-13-33(54)21-43(57)65-41/h11-12,14,16,19-20,23-31,33,38-41,44-45,54,56H,13,15,17-18,21-22H2,1-10H3/b14-11-,16-12-,20-19+/t27-,28-,29-,30-,31+,33+,38-,39+,40+,41-,44+,45+/m1/s1

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InChIKey: RJGURWXRVVOFCD-YCIJNLQNSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 911.059

TPSA？: 236.22

MolLogP？: 6.542500000000008

Number of H-Donors: 2

Number of H-Acceptors: 17

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information