Chem
J-GLOBAL ID：200907021021305810   Nikkaji number：J2.506.326K

3β-(2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-glucopyranosyloxy)cholestane

3β-(2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-グルコピラノシルオキシ)コレスタン
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： C61H74O10
Molecular formula furigana： C61-H74-O10
Molecular weight： 967.253
InChI： InChI=1S/C61H74O10/c1-39(2)19-18-20-40(3)48-31-32-49-47-30-29-45-37-46(33-35-60(45,4)50(47)34-36-61(48,49)5)67-59-54(71-58(65)44-27-16-9-17-28-44)53(70-57(64)43-25-14-8-15-26-43)52(69-56(63)42-23-12-7-13-24-42)51(68-59)38-66-55(62)41-21-10-6-11-22-41/h6-17,21-28,39-40,45-54,59H,18-20,29-38H2,1-5H3/t40-,45?,46+,47+,48-,49+,50+,51-,52-,53+,54-,59-,60+,61-/m1/s1
InChI key： RGUKTCXWVNJSKJ-VIJUYAIJSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Systematic name  (3)：
  • 3β-(2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-グルコピラノシルオキシ)コレスタン
  • [(2R,3R,4S,5R,6R)-6-{[(1R,3aS,3bR,7S,9aS,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]オキシ}-3,4,5-トリス(ベンゾイルオキシ)オキサン-2-イル]メチル ベンゾアート
  • [(2R,3R,4S,5R,6R)-6-{[(1R,3aS,3bR,7S,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-tris(benzoyloxy)oxan-2-yl]methyl benzoate
Other name (1)：
  • 3β-(2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-glucopyranosyloxy)cholestane
Thsaurus map：
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