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Oppositine B

AlkaPlorer ID: AK126946

Synonym: ''

IUPAC Name: [(1R,3S,13S,18S,19S,20R,21R,22S,23S,24S,25R,26R)-19,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-13-ethyl-3,26-dimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-20-yl] benzoate

Structure

SMILES: CC[C@H]1CCC(=O)O[C@@H]2[C@H](OC(C)=O)[C@H](OC(=O)C3=CC=CC=C3)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]4[C@@H](OC(C)=O)[C@@]3(O[C@]4(C)COC(=O)C3=CC=CN=C31)[C@@H]2C

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InChI: InChI=1S/C44H51NO17/c1-9-28-17-18-31(51)60-34-22(2)44-37(58-26(6)49)32(42(8,62-44)20-55-41(53)30-16-13-19-45-33(28)30)35(56-24(4)47)38(59-27(7)50)43(44,21-54-23(3)46)39(36(34)57-25(5)48)61-40(52)29-14-11-10-12-15-29/h10-16,19,22,28,32,34-39H,9,17-18,20-21H2,1-8H3/t22-,28+,32+,34+,35+,36+,37-,38-,39+,42-,43-,44+/m1/s1

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InChIKey: PWFIPRRXNKFZDH-QMVBHSQDSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pleurostylia opposita Pleurostylia Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 865.882

TPSA？: 232.52

MolLogP？: 3.746700000000004

Number of H-Donors: 0

Number of H-Acceptors: 18

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information