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Substance Name: Mediterraneol A
RN: 97730-98-8
InChIKey: NOCISAZINLIHQQ-SYBXDPBWSA-N

Note

  • From Cystoseira mediterranea.

Molecular Formula

  • C27-H36-O5

Molecular Weight

  • 440.576
 
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Names and Synonyms

Name of Substance

  • Mediterraneol A

Synonym

  • 6-(2,5-Dihydroxy-3-methylphenyl)-1-(2,4-dihydroxy-6,7,9,9-tetramethylbicyclo(4.2.1)nona-2,4-dien-7-yl)-4-methyl-4-hexen-2-one

Systematic Name

  • 4-Hexen-2-one, 6-(2,5-dihydroxy-3-methylphenyl)-1-(2,4-dihydroxy-6,7,9,9-tetramethylbicyclo(4.2.1)nona-2,4-dien-7-yl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 97730-98-8

System Generated Number

  • 0097730988

Structure Descriptors

InChI

1S/C27H36O5/c1-16(7-8-18-11-19(28)10-17(2)24(18)32)9-20(29)13-26(5)15-22-23(31)12-21(30)14-27(26,6)25(22,3)4/h7,10-12,14,22,28,30-32H,8-9,13,15H2,1-6H3/b16-7+/t22-,26-,27+/m0/s1

InChIKey

NOCISAZINLIHQQ-SYBXDPBWSA-N

Smiles

C1[C@H]2C(=CC(O)=C[C@@]([C@@]1(CC(=O)C\C(=C\Cc1cc(cc(c1O)C)O)C)C)(C)C2(C)C)O