Chem
J-GLOBAL ID：200907039100843904   Nikkaji number：J776.863J

Trilobacin

トリロバシン
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： C37H66O7
Molecular formula furigana： C37-H66-O7
Molecular weight： 622.928
InChI： InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31+,32+,33+,34+,35-,36+/m0/s1
InChI key： MBABCNBNDNGODA-YVKOSWGISA-N
SMILES： CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC[C@@H](O)CC1=C[C@H](C)OC1=O
Systematic name  (3)：
  • (5S)-3-[(2R,13R)-2,13-ジヒドロキシ-13-[[(2R,2′S,5R,5′R)-オクタヒドロ-5′-[(R)-1-ヒドロキシウンデシル]-2,2′-ビフラン]-5-イル]トリデシル]-5-メチルフラン-2(5H)-オン
  • (5S)-3-[(2R,13R)-2,13-ジヒドロキシ-13-[(2R,2'S,5R,5'R)-5'-[(1R)-1-ヒドロキシウンデシル]-[2,2'-ビオキソラン]-5-イル]トリデシル]-5-メチル-2,5-ジヒドロフラン-2-オン
  • (5S)-3-[(2R,13R)-2,13-dihydroxy-13-[(2R,2'S,5R,5'R)-5'-[(1R)-1-hydroxyundecyl]-[2,2'-bioxolan]-5-yl]tridecyl]-5-methyl-2,5-dihydrofuran-2-one
Other name (3)：
  • トリロバシン
  • Trilobacin
  • (5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[[(2R,2′S,5R,5′R)-octahydro-5′-[(R)-1-hydroxyundecyl]-2,2′-bifuran]-5-yl]tridecyl]-5-methylfuran-2(5H)-one
CAS registry number： 140224-67-5
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