Spirotoamide B

AlkaPlorer ID: AK058319

Synonym: None

IUPAC Name: (2E,4E,10S)-10-[(2S,4S,5S,6S,8R,9S,10R)-4,10-dihydroxy-5,8,9-trimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-4-ethyl-6-hydroxy-8-methylundeca-2,4-dienamide

Structure

SMILES: CCC(/C=C/C(=N)O)=C\C(O)CC(C)C[C@H](C)[C@@H]1C[C@H](O)[C@H](C)[C@]2(C[C@@H](O)[C@H](C)[C@@H](C)O2)O1

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InChI: InChI=1S/C26H45NO6/c1-7-20(8-9-25(27)31)12-21(28)11-15(2)10-16(3)24-13-22(29)18(5)26(33-24)14-23(30)17(4)19(6)32-26/h8-9,12,15-19,21-24,28-30H,7,10-11,13-14H2,1-6H3,(H2,27,31)/b9-8+,20-12+/t15?,16-,17+,18-,19+,21?,22-,23+,24-,26-/m0/s1

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InChIKey: RIVSSIMOOASKNX-NAZPFEEXSA-N

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Properties Information

Molecule Weight: 467.6470000000002

TPSA: 123.23000000000002

MolLogP: 4.115570000000004

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information