Chem
J-GLOBAL ID：200907007150012672   Nikkaji number：J1.932.899F

Salasol B

サラソールB
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： C33H38O10
Molecular formula furigana： C33-H38-O10
Molecular weight： 594.657
InChI： InChI=1S/C33H38O10/c1-19-16-25(41-29(37)22-12-8-6-9-13-22)27(36)32(18-39-20(2)34)26(42-30(38)23-14-10-7-11-15-23)17-24-28(40-21(3)35)33(19,32)43-31(24,4)5/h6-15,19,24-28,36H,16-18H2,1-5H3/t19-,24-,25+,26+,27+,28-,32-,33-/m1/s1
InChI key： NCRKYBJLAZLWCK-UWEFVGCASA-N
SMILES： C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](O)[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,10R)-2,2,9β-トリメチル-5aβ-(アセトキシメチル)-10-アセトキシ-3,4,5,5a,6,7,8,9-オクタヒドロ-2H-3β,9aβ-メタノ-1-ベンゾオキセピン-5α,6β,7β-トリオール5,7-ジベンゾアート
  • (1S,2R,4S,5R,6S,7S,9R,12R)-12-(アセチルオキシ)-6-[(アセチルオキシ)メチル]-7-(ベンゾイルオキシ)-5-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-4-イル ベンゾアート
  • (1S,2R,4S,5R,6S,7S,9R,12R)-12-(acetyloxy)-6-[(acetyloxy)methyl]-7-(benzoyloxy)-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl benzoate
Other name (3)：
  • (3R,10R)-2,2,9β-Trimethyl-5aβ-(acetoxymethyl)-10-acetoxy-3,4,5,5a,6,7,8,9-octahydro-2H-3β,9aβ-methano-1-benzoxepin-5α,6β,7β-triol 5,7-dibenzoate
  • サラソールB
  • Salasol B
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