Chem
J-GLOBAL ID：200907057678049010   Nikkaji number：J2.403.210H

Mytiloxanthinone

ミチロキサンチノン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H52O4
Molecular formula furigana： C40-H52-O4
Molecular weight： 596.852
InChI： InChI=1S/C40H52O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33,41,43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,40+/m1/s1
InChI key： AEOORGIQHLESFZ-WMOUBNDNSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=C\C(=O)[C@]1(C)CC(=O)CC1(C)C)\O)/C=C/C=C(\C)/C#CC1=C(C)C[C@@H](O)CC1(C)C
Systematic name  (3)：
  • (3R,5′R)-7,8-ジデヒドロ-3,8′-ジヒドロキシ-β,κ-カロテン-3′,6′-ジオン
  • (3R)-3-[(2Z,4E,6E,8E,10E,12E,14E,16E)-3-ヒドロキシ-19-[(4R)-4-ヒドロキシ-2,6,6-トリメチルシクロヘキサ-1-エン-1-イル]-4,8,13,17-テトラメチルノナデカ-2,4,6,8,10,12,14,16-オクタエン-18-イノイル]-3,4,4-トリメチルシクロペンタン-1-オン
  • (3R)-3-[(2Z,4E,6E,8E,10E,12E,14E,16E)-3-hydroxy-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16-octaen-18-ynoyl]-3,4,4-trimethylcyclopentan-1-one
Other name (3)：
  • (3R,5′R)-7,8-Didehydro-3,8′-dihydroxy-β,κ-carotene-3′,6′-dione
  • ミチロキサンチノン
  • Mytiloxanthinone
CAS registry number： 83746-66-1
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