Chem
J-GLOBAL ID：201007051203769860   Nikkaji number：J2.855.539C

Eremodimer A

エレモダイマーA
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： C40H50O8
Molecular formula furigana： C40-H50-O8
Molecular weight： 658.832
InChI： InChI=1S/C40H50O8/c1-11-21(3)33(41)45-31-15-13-27-17-39(29(23(5)35(43)47-39)19-37(27,9)25(31)7)40-18-28-14-16-32(46-34(42)22(4)12-2)26(8)38(28,10)20-30(40)24(6)36(44)48-40/h11-12,17-18,25-26,31-32H,13-16,19-20H2,1-10H3/b21-11-,22-12-/t25-,26-,31-,32-,37+,38+,39+,40+/m0/s1
InChI key： DMULGDQOZKBNQL-YORQSDMESA-N
SMILES： C/C=C(/C)\C(=O)O[C@H]1CCC2=C[C@]3(OC(=O)C(=C3C[C@]2(C)[C@H]1C)C)[C@]12OC(=O)C(=C1C[C@]1(C)[C@@H](C)[C@H](CCC1=C2)OC(=O)/C(=C\C)/C)C
Systematic name  (3)：
  • (4aR)-3,3′,4aβ,4′aβ,5β,5′β-ヘキサメチル-6β,6′β-ビス[[(Z)-2-メチル-2-ブテノイル]オキシ]-4,4′,4a,4a′,5,5′,6,6′,7,7′,8,8′-ドデカヒドロ-9aα,9a′α(2H,2′H)-ビ[ナフト[2,3-b]フラン]-2,2′-ジオン
  • (4aR,5R,6S,9aR)-9a-[(4aR,5R,6S,9aR)-3,4a,5-トリメチル-6-{[(2Z)-2-メチルブタ-2-エノイル]オキシ}-2-オキソ-2H,4H,4aH,5H,6H,7H,8H,9aH-ナフト[2,3-b]フラン-9a-イル]-3,4a,5-トリメチル-2-オキソ-2H,4H,4aH,5H,6H,7H,8H,9aH-ナフト[2,3-b]フラン-6-イル (2Z)-2-メチルブタ-2-エノアート
  • (4aR,5R,6S,9aR)-9a-[(4aR,5R,6S,9aR)-3,4a,5-trimethyl-6-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,4H,4aH,5H,6H,7H,8H,9aH-naphtho[2,3-b]furan-9a-yl]-3,4a,5-trimethyl-2-oxo-2H,4H,4aH,5H,6H,7H,8H,9aH-naphtho[2,3-b]furan-6-yl (2Z)-2-methylbut-2-enoate
Other name (3)：
  • (4aR)-3,3′,4aβ,4′aβ,5β,5′β-Hexamethyl-6β,6′β-bis[[(Z)-2-methyl-2-butenoyl]oxy]-4,4′,4a,4a′,5,5′,6,6′,7,7′,8,8′-dodecahydro-9aα,9a′α(2H,2′H)-bi[naphtho[2,3-b]furan]-2,2′-dione
  • エレモダイマーA
  • Eremodimer A
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