Chem
J-GLOBAL ID:200907042530742843   Nikkaji number:J2.276.590F

3β-(2-O,3-O-Di-α-L-rhamnopyranosyl-β-D-glucopyranosyloxy)-16β-(2-methoxy-4-methyl-2-pyrrolidinylcarbonyloxy)pregna-5-ene-20-one

3β-(2-O,3-O-ジ-α-L-ラムノピラノシル-β-D-グルコピラノシルオキシ)-16β-(2-メトキシ-4-メチル-2-ピロリジニルカルボニルオキシ)プレグナ-5-エン-20-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: C46H73NO18
Molecular formula furigana: C46-H73-N-O18
Molecular weight: 928.079
InChI: InChI=1S/C46H73NO18/c1-19-16-46(58-7,47-17-19)43(57)63-28-15-27-25-9-8-23-14-24(10-12-44(23,5)26(25)11-13-45(27,6)30(28)20(2)49)61-42-39(65-41-37(56)35(54)32(51)22(4)60-41)38(33(52)29(18-48)62-42)64-40-36(55)34(53)31(50)21(3)59-40/h8,19,21-22,24-42,47-48,50-56H,9-18H2,1-7H3/t19?,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37+,38-,39+,40-,41-,42+,44-,45-,46?/m0/s1
InChI key: XRVZAODPLDORBL-SKUDBYTCSA-N
SMILES: COC1(CC(C)CN1)C(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(=O)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (3):
  • 3β-(2-O,3-O-ジ-α-L-ラムノピラノシル-β-D-グルコピラノシルオキシ)-16β-(2-メトキシ-4-メチル-2-ピロリジニルカルボニルオキシ)プレグナ-5-エン-20-オン
  • (1R,2S,3aS,3bS,7S,9aR,9bS,11aS)-1-アセチル-7-{[(2R,3R,4S,5R,6R)-5-ヒドロキシ-6-(ヒドロキシメチル)-3,4-ビス({[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ})オキサン-2-イル]オキシ}-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-2-イル 2-メトキシ-4-メチルピロリジン-2-カルボキシラート
  • (1R,2S,3aS,3bS,7S,9aR,9bS,11aS)-1-acetyl-7-{[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl 2-methoxy-4-methylpyrrolidine-2-carboxylate
Other name (1):
  • 3β-(2-O,3-O-Di-α-L-rhamnopyranosyl-β-D-glucopyranosyloxy)-16β-(2-methoxy-4-methyl-2-pyrrolidinylcarbonyloxy)pregna-5-ene-20-one
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