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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK225745

Synonym: None

IUPAC Name: [(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,24-triacetyloxy-20-(acetyloxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-22-(2-methylpropanoyloxy)-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(=O)C(C)C)[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/C45H54N2O19/c1-20(2)38(53)63-32-30-34(60-24(6)49)45-43(10,57)35(65-39(54)22(4)21(3)31-28(13-12-16-46-31)41(56)59-18-42(30,9)66-45)33(64-40(55)27-14-15-29(52)47(11)17-27)37(62-26(8)51)44(45,19-58-23(5)48)36(32)61-25(7)50/h12-17,20-22,30,32-37,57H,18-19H2,1-11H3/t21-,22+,30-,32-,33+,34-,35+,36-,37+,42+,43+,44-,45+/m1/s1

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InChIKey: ZHLXWFODQMCBTI-XPYIAHFXSA-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: 926.922

TPSA？: 274.74999999999994

MolLogP？: 1.6622000000000052

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