Dehydrodeltatsine

AlkaPlorer ID: AK068132

Synonym: '', 'Dehydrodeltatsine'

IUPAC Name: (1R,2S,3S,5R,7S,10R,11S,12S,13S,14R,16S,17S,18S,19R)-4-ethyl-12,14,16-trimethoxy-10-(methoxymethyl)-6-oxa-4-azaheptacyclo[15.2.1.02,7.02,11.03,13.05,10.014,19]icosane-13,18-diol

Structure

SMILES: CCN1[C@@H]2O[C@H]3CC[C@]2(COC)[C@H]2[C@H](OC)[C@@]4(O)[C@@H]1[C@@]32[C@@H]1C[C@H]2[C@H](O)[C@@H]1[C@]4(OC)C[C@@H]2OC

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InChI: InChI=1S/C25H39NO7/c1-6-26-20-24-13-9-12-14(30-3)10-23(32-5,16(13)17(12)27)25(20,28)19(31-4)18(24)22(11-29-2)8-7-15(24)33-21(22)26/h12-21,27-28H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18-,19+,20+,21-,22+,23-,24+,25-/m1/s1

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InChIKey: QFIFNORRVIEXFE-LPIWICBTSA-N

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Source

Properties Information

Molecule Weight: 465.5870000000002

TPSA: 89.85000000000001

MolLogP: 0.635000000000002

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information