Chem
J-GLOBAL ID：200907007778516130   Nikkaji number：J755.059F

Cucurbitachrome 2

ククルビタクロム2
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： C40H56O4
Molecular formula furigana： C40-H56-O4
Molecular weight： 600.884
InChI： InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(43-40)27-39(40,10)42)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)25-38(35,9)44-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34-,38+,39+,40+/m0/s1
InChI key： YMNKXGQZDVGTFM-LRJXZMMBSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\[C@H]1O[C@]2(C)C[C@@H](O)CC(C)(C)C2=C1)/C=C/C=C(\C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O
Systematic name  (3)：
  • (3S,3′S,5R,5′R,6R,8′S)-5H,8′H-3,6:5′,8′-ジエポキシ-β,β-カロテン-3′,5-ジオール
  • (2S,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,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]-6,11,15-トリメチルヘプタデカ-2,4,6,8,10,12,14,16-オクタエン-2-イル]-4,4,7a-トリメチル-2,4,5,6,7,7a-ヘキサヒドロ-1-ベンゾフラン-6-オール
  • (2S,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol
Other name (3)：
  • ククルビタクロム2
  • Cucurbitachrome 2
  • (3S,3′S,5R,5′R,6R,8′S)-5H,8′H-3,6:5′,8′-Diepoxy-β,β-carotene-3′,5-diol
Thsaurus map：
Thesaurus Map

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