Chem
J-GLOBAL ID：200907064470473671   Nikkaji number：J1.959.465C

Salasol A

サラソール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： C28H36O10
Molecular formula furigana： C28-H36-O10
Molecular weight： 532.586
InChI： InChI=1S/C28H36O10/c1-15-12-21(32)24(36-18(4)31)27(14-34-16(2)29)22(37-25(33)19-10-8-7-9-11-19)13-20-23(35-17(3)30)28(15,27)38-26(20,5)6/h7-11,15,20-24,32H,12-14H2,1-6H3/t15-,20-,21+,22+,23-,24+,27-,28-/m1/s1
InChI key： PBYYDTQGTBZJGB-OKPVOZINSA-N
SMILES： C[C@@H]1C[C@H](O)[C@H](OC(=O)C)[C@@]2(COC(=O)C)[C@H](C[C@@H]3[C@@H](OC(=O)C)[C@]12OC3(C)C)OC(=O)c1ccccc1
Systematic name  (3)：
  • (3R,5S,5aR,6R,7S,9R,9aS,10R)-2,2,9-トリメチル-5a-(アセトキシメチル)-3,4,5,5a,6,7,8,9-オクタヒドロ-2H-3,9a-メタノ-1-ベンゾオキセピン-5,6,7,10-テトラオール6,10-ジアセタート5-ベンゾアート
  • (1S,2R,4S,5R,6R,7S,9R,12R)-5,12-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-4-ヒドロキシ-2,10,10-トリメチル-11-オキサトリシクロ[7.2.1.01,6]ドデカン-7-イル ベンゾアート
  • (1S,2R,4S,5R,6R,7S,9R,12R)-5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl benzoate
Other name (3)：
  • (3R,5S,5aR,6R,7S,9R,9aS,10R)-2,2,9-Trimethyl-5a-(acetoxymethyl)-3,4,5,5a,6,7,8,9-octahydro-2H-3,9a-methano-1-benzoxepin-5,6,7,10-tetrol 6,10-diacetate 5-benzoate
  • Salasol A
  • サラソールA
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