Juvenimicin B1; 20-Aldehyde, 3-Ac 

AlkaPlorer ID: AK303385

Synonym: None

IUPAC Name: [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate

Structure

SMILES: CCC1OC(=O)CC(OC(C)=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1C

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InChI: InChI=1S/C33H53NO9/c1-10-28-21(4)15-19(2)11-12-27(37)20(3)16-25(13-14-35)32(23(6)29(41-24(7)36)18-30(38)42-28)43-33-31(39)26(34(8)9)17-22(5)40-33/h11-12,14-15,20-23,25-26,28-29,31-33,39H,10,13,16-18H2,1-9H3

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InChIKey: NSLPINMRSHLZTR-UHFFFAOYSA-N

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Reference

PubChem CID: 163052400

COCONUT: CNP0336663.1

Properties Information

Molecule Weight: 607.7850000000002

TPSA: 128.67

MolLogP: 4.030000000000003

Number of H-Donors: 1

Number of H-Acceptors: 10

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information