Chem
J-GLOBAL ID:200907001595179595   Nikkaji number:J2.712.971D

3β,14α,20-Trihydroxy-25-(β-D-glucopyranosyloxy)-5β-cholesta-7-ene-6-one

3β,14α,20-トリヒドロキシ-25-(β-D-グルコピラノシルオキシ)-5β-コレスタ-7-エン-6-オン
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: C33H54O10
Molecular formula furigana: C33-H54-O10
Molecular weight: 610.785
InChI: InChI=1S/C33H54O10/c1-29(2,43-28-27(39)26(38)25(37)23(17-34)42-28)10-6-11-32(5,40)24-9-14-33(41)20-16-22(36)21-15-18(35)7-12-30(21,3)19(20)8-13-31(24,33)4/h16,18-19,21,23-28,34-35,37-41H,6-15,17H2,1-5H3/t18-,19-,21-,23+,24-,25+,26-,27+,28-,30+,31+,32-,33+/m0/s1
InChI key: VKAFQILVRDFOIB-DMLNGFPFSA-N
SMILES: CC(C)(CCC[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 3β,14α,20-トリヒドロキシ-25-(β-D-グルコピラノシルオキシ)-5β-コレスタ-7-エン-6-オン
  • (1S,3aS,5aR,7S,9aR,9bR,11aR)-3a,7-ジヒドロキシ-1-[(2S)-2-ヒドロキシ-6-メチル-6-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}ヘプタン-2-イル]-9a,11a-ジメチル-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-5-オン
  • (1S,3aS,5aR,7S,9aR,9bR,11aR)-3a,7-dihydroxy-1-[(2S)-2-hydroxy-6-methyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
Other name (1):
  • 3β,14α,20-Trihydroxy-25-(β-D-glucopyranosyloxy)-5β-cholesta-7-ene-6-one
Thsaurus map:

Return to Previous Page