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Substance Name: Orevactaene
RN: 197631-20-2
InChIKey: GDSQFNQIWJCATH-PHOXTJPWSA-N

Molecular Formula

  • C34-H44-O10

Molecular Weight

  • 612.7116
 
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Names and Synonyms

Results Name

  • Orevactaene

Synonym

  • Orevactaene

Systematic Name

  • 3,5,7,9,11,13-Tetradecahexaenoic acid, 14-((2R,3R,4S)-3,4-dihydro-3,4-dihydroxy-5-oxo-2-(1,2,3-trihydroxypropyl)-2H,5H-pyrano(4,3-b)pyran-7-yl)-2-(2,4-dimethylhexylidene)-4-methyl-, (2Z,3E,5E,7E,9E,11E,13E)-rel-

Registry Numbers

CAS Registry Number

  • 197631-20-2

System Generated Number

  • 0197631202

Structure Descriptors

InChI

1S/C34H44O10/c1-5-21(2)16-23(4)18-24(33(40)41)17-22(3)14-12-10-8-6-7-9-11-13-15-25-19-27-28(34(42)43-25)30(38)31(39)32(44-27)29(37)26(36)20-35/h6-15,17-19,21,23,26,29-32,35-39H,5,16,20H2,1-4H3,(H,40,41)/b7-6+,10-8+,11-9+,14-12+,15-13+,22-17+,24-18-/t21?,23?,26?,29?,30-,31+,32-/m0/s1

InChIKey

GDSQFNQIWJCATH-PHOXTJPWSA-N

Smiles

CCC(C)CC(C)/C=C(/C=C(\C)/C=C/C=C/C=C/C=C/C=C/c1cc2c(c(=O)o1)[C@@H]([C@H]([C@@H](O2)C(C(CO)O)O)O)O)\C(=O)O