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name Structure Reference Source Properties Activities Metabolism

(1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23-tris(acetyloxy)-21-[(acetyloxy)methyl]-19-(benzoyloxy)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7(12),8,10-trien-25-yl pyridine-3-carb

AlkaPlorer ID: AK268223

Synonym: None

IUPAC Name: [(1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23-triacetyloxy-21-(acetyloxymethyl)-19-benzoyloxy-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-25-yl] pyridine-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(=O)C4=CC=CN=C4)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)C1=CC=CC=C1)[C@@H]2OC(C)=O)[C@]4(C)O

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InChI: InChI=1S/C47H50N2O18/c1-24-17-18-32-31(16-12-20-49-32)43(57)60-22-44(6)33-34(61-26(3)51)38(62-27(4)52)46(23-59-25(2)50)39(63-28(5)53)35(64-41(55)29-13-9-8-10-14-29)37(66-40(24)54)45(7,58)47(46,67-44)36(33)65-42(56)30-15-11-19-48-21-30/h8-16,19-21,24,33-39,58H,17-18,22-23H2,1-7H3/t24-,33+,34+,35-,36+,37-,38+,39-,44-,45-,46+,47-/m0/s1

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InChIKey: YRVWWVNUBBKXKO-FUCRSOKISA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Monteverdia ilicifolia Monteverdia Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 930.913

TPSA？: 265.64

MolLogP？: 2.845400000000003

Number of H-Donors: 1

Number of H-Acceptors: 20

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information