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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 benzoate

AlkaPlorer ID: AK267466

Synonym: None

IUPAC Name: [(1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23-triacetyloxy-21-(acetyloxymethyl)-25-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-19-yl] benzoate

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=CC=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/C48H51NO18/c1-25-20-21-33-32(19-14-22-49-33)44(57)60-23-45(6)34-35(61-27(3)51)39(62-28(4)52)47(24-59-26(2)50)40(63-29(5)53)36(64-42(55)30-15-10-8-11-16-30)38(66-41(25)54)46(7,58)48(47,67-45)37(34)65-43(56)31-17-12-9-13-18-31/h8-19,22,25,34-40,58H,20-21,23-24H2,1-7H3/t25-,34+,35+,36-,37+,38-,39+,40-,45-,46-,47+,48-/m0/s1

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InChIKey: IWAOZFPXCVLWKN-UMIZYKNOSA-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: 929.9250000000002

TPSA？: 252.75

MolLogP？: 3.450400000000001

Number of H-Donors: 1

Number of H-Acceptors: 19

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information