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Neurosporaxanthin methyl ester

  • Formula: C36H48O2

  • Molecular weight: 512.80

  • Smiles: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)OC)C)C

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Neurosporaxanthin methyl ester

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

  • Mycotoxin name: Neurosporaxanthin methyl ester

  • First synonym: Neurosporaxanthin methyl ester

  • Synonyms: Neurosporaxanthin methyl ester,4'-Apo-.beta.,.psi.-carotenoic acid, methyl ester,SCHEMBL2840976,Methyl ester of neurosporaxanthin,4'-Apo-.gamma.-carotenoic acid, methyl ester, all-trans-,5389-78-6,Methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-henicosadecaenoate #

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Structure

  • Smiles: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)OC)C)C

  • Isomeric smiles: CC1=C(C(CCC1)(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)/C(=O)OC)/C)/C

  • Inchi: InChI=1S/C36H48O2/c1-28(18-12-20-30(3)22-14-23-33(6)35(37)38-9)16-10-11-17-29(2)19-13-21-31(4)25-26-34-32(5)24-15-27-36(34,7)8/h10-14,16-23,25-26H,15,24,27H2,1-9H3/b11-10+,18-12+,19-13+,22-14+,26-25+,28-16+,29-17+,30-20+,31-21+,33-23+

  • Inchikey: CXZXVEIFQBEHTM-HHOXJLNZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C36H48O2

  • Molecular weight: 512.80

  • Monoisotopic mass: 512.36543077

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