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

AlkaPlorer ID: AK319809

Synonym: None

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

Structure

SMILES: CCN1C[C@]2(COC)CCC(O)C34[C@@H]5C[C@@H]6C(O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@H]13)[C@@H](OC)[C@@H]42

copy

InChI: InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13+,14-,15?,16+,17?,18+,19-,20+,21-,22+,23?,24-/m0/s1

copy

InChIKey: BMZNJVXOLCBDPZ-NHEWHGGJSA-N

copy

Reference

PubChem CID: 54607994

NPASS: NPC2986

Properties Information

Molecule Weight: 453.5760000000002

TPSA: 111.85000000000002

MolLogP: -0.3830999999999975

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information