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name Structure Reference Source Properties Activities Metabolism

(1S,3R,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22,24-tetrakis(acetyloxy)-25-hydroxy-3,14,25-trimethyl-20-{[(2-methylpropanoyl)oxy]methyl}-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

AlkaPlorer ID: AK224665

Synonym: None

IUPAC Name: [(1S,3R,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22,24-tetraacetyloxy-25-hydroxy-3,14,25-trimethyl-20-(2-methylpropanoyloxymethyl)-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)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34O[C@@]2(C)COC(=O)C2=CC=CN=C2C[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)C2=CN(C)C(=O)C=C2)[C@H](OC(C)=O)[C@@]3(COC(=O)C(C)C)[C@@H]1OC(C)=O)[C@]4(C)O

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InChI: InChI=1S/C44H52N2O19/c1-20(2)37(52)58-19-43-35(61-24(6)49)31(59-22(4)47)30-33(60-23(5)48)44(43)42(9,56)34(32(36(43)62-25(7)50)63-39(54)26-13-14-29(51)46(10)17-26)64-38(53)21(3)16-28-27(12-11-15-45-28)40(55)57-18-41(30,8)65-44/h11-15,17,20-21,30-36,56H,16,18-19H2,1-10H3/t21-,30+,31+,32-,33+,34-,35+,36-,41-,42-,43+,44-/m0/s1

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InChIKey: WVZOJLKCDYLTAH-IPDLDVBLSA-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: 912.895

TPSA？: 274.74999999999994

MolLogP？: 1.1012000000000053

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