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res 1149-2

  • Formula: C23H30O5

  • Molecular weight: 386.50

  • Smiles: CC=CC=CC=CC(=O)OC1C=C2COC(=O)C2(C3(C1C(CCC3)(C)C)C)O

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res 1149-2

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: res 1149-2

  • First synonym: None

  • Synonyms: RES-1149-2,[(5R,5As,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate,MEGxm0_000041,CHEMBL1078730,ACon0_000051,ACon1_001277,CHEBI:204461,RES 1149-2,NCGC00169507-01,NCGC00169507-03,(2E,4E)-2,4,6-Octatrienoic acid [(5R)-1,3,5,5aalpha,6,7,8,9,9a,9balpha-decahydro-9balpha-hydroxy-6,6,9abeta-trimethyl-1-oxonaphtho[1,2-c]furan]-5beta-yl ester,[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate

Identifiers / External links

Structure

  • Smiles: CC=CC=CC=CC(=O)OC1C=C2COC(=O)C2(C3(C1C(CCC3)(C)C)C)O

  • Isomeric smiles: C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@@]2([C@@]3([C@@H]1C(CCC3)(C)C)C)O

  • Inchi: InChI=1S/C23H30O5/c1-5-6-7-8-9-11-18(24)28-17-14-16-15-27-20(25)23(16,26)22(4)13-10-12-21(2,3)19(17)22/h5-9,11,14,17,19,26H,10,12-13,15H2,1-4H3/b6-5+,8-7+,11-9+/t17-,19+,22+,23+/m1/s1

  • Inchikey: DPTZOOXIEWHODB-XLDMSTKGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H30O5

  • Molecular weight: 386.50

  • Monoisotopic mass: 386.20932405

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