(1R,4R,5S,6R,16R)-6-hydroxy-4-isopropyl-5,6-dimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione

AlkaPlorer ID: AK267127

Synonym: None

IUPAC Name: (1R,4R,5S,6R,16R)-6-hydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione

Structure

SMILES: CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H]1C)[C@H]23

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InChI: InChI=1S/C18H27NO5/c1-10(2)14-11(3)18(4,22)17(21)23-9-12-5-7-19-8-6-13(15(12)19)24-16(14)20/h5,10-11,13-15,22H,6-9H2,1-4H3/t11-,13+,14+,15+,18+/m0/s1

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InChIKey: DSYFCKQYQRJSLW-BBYLVHEZSA-N

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Reference

Trichodesma incanum (Bunge) A. DC.

PubChem CID: 78358488

LOTUS: LTS0235427

SuperNatural Ⅲ: SN0074609-01

Source

Properties Information

Molecule Weight: 337.416

TPSA: 76.07

MolLogP: 1.1285999999999998

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information