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name Structure Reference Source Properties Activities Metabolism

(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22,24-tetrakis(acetyloxy)-20-[(acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7(12),8,10-trien-18-yl 1-methyl-6-oxo

AlkaPlorer ID: AK019536

Synonym: None

IUPAC Name: [(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22,24-tetraacetyloxy-20-(acetyloxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate

Structure

SMILES: CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)C1=CN(C)C(=O)C=C1)[C@@H]2OC(C)=O)[C@]4(C)O

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InChI: InChI=1S/C43H50N2O19/c1-19-20(2)37(52)63-34-32(62-38(53)26-13-14-28(51)45(10)16-26)36(61-25(7)50)42(18-56-21(3)46)35(60-24(6)49)31(58-22(4)47)29-33(59-23(5)48)43(42,41(34,9)55)64-40(29,8)17-57-39(54)27-12-11-15-44-30(19)27/h11-16,19-20,29,31-36,55H,17-18H2,1-10H3/t19-,20+,29-,31-,32+,33-,34+,35-,36+,40+,41+,42-,43+/m1/s1

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InChIKey: QLEWEJBYJKTAKW-XUAFCPGYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Semialarium mexicanum Semialarium Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 898.8680000000003

TPSA？: 274.74999999999994

MolLogP？: 1.0261000000000065

Number of H-Donors: 1

Number of H-Acceptors: 21

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information