Chem
J-GLOBAL ID：200907071461191406   Nikkaji number：J1.581.157I

Capsanthone 3,6-epoxide

カプサントン3,6-エポキシド
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： C40H54O4
Molecular formula furigana： C40-H54-O4
Molecular weight： 598.868
InChI： InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40-/m0/s1
InChI key： JVHYYZMBYJJGJM-QPORUIBMSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(\C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C
Systematic name  (3)：
  • (3S,5R,5′R,6S)-5,6-ジヒドロ-5-ヒドロキシ-3,6-エポキシ-β,κ-カロテン-3′,6′-ジオン
  • (3R)-3-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(1S,2R,4S)-2-ヒドロキシ-2,6,6-トリメチル-7-オキサビシクロ[2.2.1]ヘプタン-1-イル]-4,8,13,17-テトラメチルノナデカ-2,4,6,8,10,12,14,16,18-ノナエノイル]-3,4,4-トリメチルシクロペンタン-1-オン
  • (3R)-3-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(1S,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl]-3,4,4-trimethylcyclopentan-1-one
Other name (3)：
  • (3S,5R,5′R,6S)-5,6-Dihydro-5-hydroxy-3,6-epoxy-β,κ-carotene-3′,6′-dione
  • カプサントン3,6-エポキシド
  • Capsanthone 3,6-epoxide
Thsaurus map：
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