Chem
J-GLOBAL ID:200907024298932861   Nikkaji number:J580.688G

(2S,2′S)-3,3′,4,4′-Tetrahydro-2,2′,7,7′,8,8′-hexamethyl-2,2′-bis[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-5,5′-bi[2H-1-benzopyran]-6,6′-diol

(2S,2′S)-3,3′,4,4′-テトラヒドロ-2,2′,7,7′,8,8′-ヘキサメチル-2,2′-ビス[(3E,7E)-4,8,12-トリメチル-3,7,11-トリデカトリエニル]-5,5′-ビ[2H-1-ベンゾピラン]-6,6′-ジオール
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: C56H82O4
Molecular formula furigana: C56-H82-O4
Molecular weight: 819.268
InChI: InChI=1S/C56H82O4/c1-37(2)21-15-23-39(5)25-17-27-41(7)29-19-33-55(13)35-31-47-49(51(57)43(9)45(11)53(47)59-55)50-48-32-36-56(14,60-54(48)46(12)44(10)52(50)58)34-20-30-42(8)28-18-26-40(6)24-16-22-38(3)4/h21-22,25-26,29-30,57-58H,15-20,23-24,27-28,31-36H2,1-14H3/b39-25+,40-26+,41-29+,42-30+/t55-,56-/m0/s1
InChI key: JXHJCSVQMJXTCE-GXPUOMAASA-N
SMILES: CC(=CCC/C(=C/CC/C(=C/CC[C@@]1(C)CCc2c(O1)c(C)c(C)c(O)c2c1c(O)c(C)c(C)c2O[C@@](C)(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCc12)/C)/C)C
Systematic name  (3):
  • (2S,2′S)-3,3′,4,4′-テトラヒドロ-2,2′,7,7′,8,8′-ヘキサメチル-2,2′-ビス[(3E,7E)-4,8,12-トリメチル-3,7,11-トリデカトリエニル]-5,5′-ビ[2H-1-ベンゾピラン]-6,6′-ジオール
  • (2S)-5-[(2S)-6-ヒドロキシ-2,7,8-トリメチル-2-[(3E,7E)-4,8,12-トリメチルトリデカ-3,7,11-トリエン-1-イル]-3,4-ジヒドロ-2H-1-ベンゾピラン-5-イル]-2,7,8-トリメチル-2-[(3E,7E)-4,8,12-トリメチルトリデカ-3,7,11-トリエン-1-イル]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-オール
  • (2S)-5-[(2S)-6-hydroxy-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-5-yl]-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol
Other name (1):
  • (2S,2′S)-3,3′,4,4′-Tetrahydro-2,2′,7,7′,8,8′-hexamethyl-2,2′-bis[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-5,5′-bi[2H-1-benzopyran]-6,6′-diol
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