Chem
J-GLOBAL ID:200907018544936316   Nikkaji number:J674.890B

(22S)-1β-(β-D-Glucopyranosyloxy)cholest-5-ene-3β,16β,22-triol

(22S)-1β-(β-D-グルコピラノシルオキシ)コレスタ-5-エン-3β,16β,22-トリオール
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: C33H56O9
Molecular formula furigana: C33-H56-O9
Molecular weight: 596.802
InChI: InChI=1S/C33H56O9/c1-16(2)6-9-23(36)17(3)27-24(37)14-22-20-8-7-18-12-19(35)13-26(33(18,5)21(20)10-11-32(22,27)4)42-31-30(40)29(39)28(38)25(15-34)41-31/h7,16-17,19-31,34-40H,6,8-15H2,1-5H3/t17-,19-,20-,21+,22+,23+,24+,25-,26-,27+,28-,29+,30-,31+,32+,33+/m1/s1
InChI key: HIYAKEYIKANMBF-SCKNVNSSSA-N
SMILES: CC(C)CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3):
  • (22S)-1β-(β-D-グルコピラノシルオキシ)コレスタ-5-エン-3β,16β,22-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(1R,2S,3aS,3bS,7R,9R,9aR,9bS,11aS)-2,7-ジヒドロキシ-1-[(2S,3S)-3-ヒドロキシ-6-メチルヘプタン-2-イル]-9a,11a-ジメチル-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-9-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(1R,2S,3aS,3bS,7R,9R,9aR,9bS,11aS)-2,7-dihydroxy-1-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1):
  • (22S)-1β-(β-D-Glucopyranosyloxy)cholest-5-ene-3β,16β,22-triol
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