Chem
J-GLOBAL ID：200907015651043457   Nikkaji number：J2.276.589B

3β-(2-O,4-O-Di-α-L-rhamnopyranosyl-β-D-glucopyranosyloxy)pregna-5,6-diene-20-one

3β-(2-O,4-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)プレグナ-5,6-ジエン-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： C39H60O15
Molecular formula furigana： C39-H60-O15
Molecular weight： 768.894
InChI： InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h7,17-18,20-37,40,42-48H,8-15H2,1-5H3/t17-,18-,20-,21-,22+,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1
InChI key： CWNWPNLVHRQYKZ-REJRBWNSSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](CC[C@@H]6C(=O)C)[C@@H]5C=C=C4C3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-(2-O,4-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)プレグナ-5,6-ジエン-20-オン
  • 1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-7-{[(2R,3R,4S,5S,6R)-4-ヒドロキシ-6-(ヒドロキシメチル)-3,5-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,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]エタン-1-オン
  • 1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-7-{[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-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,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-one
Other name (1)：
  • 3β-(2-O,4-O-Di-α-L-rhamnopyranosyl-β-D-glucopyranosyloxy)pregna-5,6-diene-20-one
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