Chem
J-GLOBAL ID：201307065302037300   Nikkaji number：J3.214.636H

3β-(2-O,4-O,6-O-Tribenzyl-D-glucopyranosyloxy)cholesta-5-ene

3β-(2-O,4-O,6-O-トリベンジル-D-グルコピラノシルオキシ)コレスタ-5-エン
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： C54H74O6
Molecular formula furigana： C54-H74-O6
Molecular weight： 819.180
InChI： InChI=1S/C54H74O6/c1-37(2)16-15-17-38(3)45-26-27-46-44-25-24-42-32-43(28-30-53(42,4)47(44)29-31-54(45,46)5)59-52-51(58-35-41-22-13-8-14-23-41)49(55)50(57-34-40-20-11-7-12-21-40)48(60-52)36-56-33-39-18-9-6-10-19-39/h6-14,18-24,37-38,43-52,55H,15-17,25-36H2,1-5H3/t38-,43+,44+,45-,46+,47+,48-,49+,50-,51-,52?,53+,54-/m1/s1
InChI key： BOXGWFPZDHHXNP-SSIGUDSVSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](O)[C@H]1OCc1ccccc1
Systematic name  (3)：
  • 3β-(2-O,4-O,6-O-トリベンジル-D-グルコピラノシルオキシ)コレスタ-5-エン
  • (3R,4S,5S,6R)-2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]オキシ}-3,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-4-オール
  • (3R,4S,5S,6R)-2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-4-ol
Other name (1)：
  • 3β-(2-O,4-O,6-O-Tribenzyl-D-glucopyranosyloxy)cholesta-5-ene
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