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name Structure Reference Source Properties Activities Metabolism

(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23S,24R,25S)-19,21-bis(acetyloxy)-24,25-dihydroxy-3,13,14,25-tetramethyl-22-[(2-methylpropanoyl)oxy]-20-{[(2-methylpropanoyl)oxy]methyl}-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7(1

AlkaPlorer ID: AK128499

Synonym: None

IUPAC Name: [(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23S,24R,25S)-19,21-diacetyloxy-24,25-dihydroxy-3,13,14,25-tetramethyl-22-(2-methylpropanoyloxy)-20-(2-methylpropanoyloxymethyl)-6,15-dioxo-2,5,16-trioxa-9-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](OC(=O)C(C)C)[C@@H]2[C@@H](O)[C@@]34O[C@@]2(C)COC(=O)C2=CN=CC=C2[C@H](C)[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@@]13COC(=O)C(C)C)[C@]4(C)O

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InChI: InChI=1S/C45H56N2O18/c1-20(2)37(52)59-19-44-35(60-24(7)48)31(62-38(53)21(3)4)30-33(51)45(44)43(10,57)34(32(36(44)61-25(8)49)63-40(55)26-12-13-29(50)47(11)17-26)64-39(54)23(6)22(5)27-14-15-46-16-28(27)41(56)58-18-42(30,9)65-45/h12-17,20-23,30-36,51,57H,18-19H2,1-11H3/t22-,23+,30-,31-,32+,33-,34+,35-,36+,42+,43+,44-,45+/m1/s1

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InChIKey: SOCXNSCDMBYIHI-FYOIIPQLSA-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: 912.939

TPSA？: 268.67999999999995

MolLogP？: 1.7275000000000038

Number of H-Donors: 2

Number of H-Acceptors: 20

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information