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Substance Name: Spheroidenone
RN: 13836-70-9
InChIKey: ZQFURSYWJPLAJR-FZFXUSNISA-N

Molecular Formula

  • C41-H58-O2

Molecular Weight

  • 582.907
 
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Names and Synonyms

Name of Substance

  • Spheroidenone

Systematic Name

  • psi,psi-Carotene, 3,4-didehydro-1,2,7',8-tetrahydro-1-methoxy-2-oxo-

Registry Numbers

CAS Registry Number

  • 13836-70-9

System Generated Number

  • 0013836709

Structure Descriptors

InChI

1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+

InChIKey

ZQFURSYWJPLAJR-FZFXUSNISA-N

Smiles

C(=C\CCC(=C/CCC(\C)=C/C=C/C(=C/C=C/C=C(\C)\C=C\C=C(\C=C\C=C(\C=C\C(C(C)(C)OC)=O)C)C)C)\C)(\C)C