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Substance Name: Turbinaric acid
RN: 56882-00-9
InChIKey: BJHPHCBHTOHNEI-KDSGDVRDSA-N

Note

  • A cytotoxic secosqualene from brown alga Turbinaria ornata.

Molecular Formula

  • C27-H44-O2

Molecular Weight

  • 400.643
 
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Names and Synonyms

Name of Substance

  • Turbinaric acid

Synonym

  • 4,8,13,17,21-Pentamethyl-4,8,12,16,20-docosapentaenoic acid

Systematic Name

  • 4,8,12,16,20-Docosapentaenoic acid, 4,8,13,17,21-pentamethyl-, (all E)-

Registry Numbers

CAS Registry Number

  • 56882-00-9

System Generated Number

  • 0056882009

Structure Descriptors

InChI

1S/C27H44O2/c1-22(2)12-9-15-25(5)18-10-16-23(3)13-7-8-14-24(4)17-11-19-26(6)20-21-27(28)29/h12-14,18-19H,7-11,15-17,20-21H2,1-6H3,(H,28,29)/b23-13+,24-14+,25-18+,26-19+

InChIKey

BJHPHCBHTOHNEI-KDSGDVRDSA-N

Smiles

C(\C)(C)=C\CC\C(=C\CC\C(=C\CC\C=C(\CC\C=C(\CCC(O)=O)C)C)C)C