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

AlkaPlorer ID: AK119438

Synonym: None

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

Structure

SMILES: CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@H](O)[C@H]23)[C@@H]14

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InChI: InChI=1S/C23H37NO7/c1-4-24-9-20(10-25)6-5-14(26)22-12-7-11-13(30-2)8-21(31-3,15(12)16(11)27)23(29,19(22)24)18(28)17(20)22/h11-19,25-29H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19+,20+,21-,22+,23-/m1/s1

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InChIKey: DJPVCLSVSGRWRS-MVQJQBBKSA-N

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Source

Properties Information

Molecule Weight: 439.5490000000002

TPSA: 122.85000000000002

MolLogP: -1.037199999999997

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information