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name Structure Reference Source Properties Activities Metabolism

(1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R,18S)-11,18-diethyl-13-(hydroxymethyl)-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-8,9-diol

AlkaPlorer ID: AK092730

Synonym: None

IUPAC Name: (1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R,18S)-11,18-diethyl-13-(hydroxymethyl)-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9-diol

Structure

SMILES: CC[C@H]1[C@@H]2[C@@]3(CO)CC[C@H](OC)[C@@]24[C@@H]2C[C@H]5[C@H](OC)[C@@H]2[C@](O)(C[C@@H]5OC)[C@]1(O)[C@H]4N(CC)C3

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InChI: InChI=1S/C26H43NO6/c1-6-15-21-23(13-28)9-8-18(32-4)25(21)16-10-14-17(31-3)11-24(29,19(16)20(14)33-5)26(15,30)22(25)27(7-2)12-23/h14-22,28-30H,6-13H2,1-5H3/t14-,15+,16-,17+,18+,19-,20+,21-,22+,23+,24-,25+,26-/m1/s1

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InChIKey: FLCYLPQGSMGINE-UJWYFFHYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus insuetus Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 465.6310000000003

TPSA？: 91.62

MolLogP？: 1.2822000000000011

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information