Chem
J-GLOBAL ID：200907083665823337   Nikkaji number：J1.316.500I

(1R,17R)-8β-Ethyl-12α-[5α-(dimethylamino)-6β-methyltetrahydro-2H-pyran-2β-yloxy]-13β-methyl-17-(2-O-pentyl-3-O,4-O-dimethyl-α-L-rhamnopyranosyloxy)-1α,2β-propano-1,2,4aα,4bβ,5,6,8,9,10,11,12,13,14,15aα-tetradecahydro-7-oxa-7H-cyclododeca[a]indene-6,14-dione

(1R,17R)-8β-エチル-12α-[5α-(ジメチルアミノ)-6β-メチルテトラヒドロ-2H-ピラン-2β-イルオキシ]-13β-メチル-17-(2-O-ペンチル-3-O,4-O-ジメチル-α-L-ラムノピラノシルオキシ)-1α,2β-プロパノ-1,2,4aα,4bβ,5,6,8,9,10,11,12,13,14,15aα-テトラデカヒドロ-7-オキサ-7H-シクロドデカ[a]インデン-6,14-ジオン
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： C45H73NO10
Molecular formula furigana： C45-H73-N-O10
Molecular weight： 788.076
InChI： InChI=1S/C45H73NO10/c1-10-12-13-21-51-44-43(50-9)42(49-8)28(5)53-45(44)55-31-22-29-17-18-32-34(33(29)23-31)24-36-35(32)25-39(47)54-30(11-2)15-14-16-38(26(3)41(36)48)56-40-20-19-37(46(6)7)27(4)52-40/h17-18,24,26-35,37-38,40,42-45H,10-16,19-23,25H2,1-9H3/t26-,27-,28+,29-,30+,31-,32-,33-,34-,35+,37+,38+,40+,42+,43-,44-,45+/m1/s1
InChI key： SJGLBPKQIAVFPO-FGSVEZBFSA-N
SMILES： CCCCCO[C@H]1[C@H](O[C@@H]2C[C@H]3C=C[C@H]4[C@@H]5CC(=O)O[C@@H](CC)CCC[C@H](O[C@H]6CC[C@@H]([C@@H](C)O6)N(C)C)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)O[C@@H](C)[C@H](OC)[C@H]1OC
Systematic name  (3)：
  • (1R,17R)-8β-エチル-12α-[5α-(ジメチルアミノ)-6β-メチルテトラヒドロ-2H-ピラン-2β-イルオキシ]-13β-メチル-17-(2-O-ペンチル-3-O,4-O-ジメチル-α-L-ラムノピラノシルオキシ)-1α,2β-プロパノ-1,2,4aα,4bβ,5,6,8,9,10,11,12,13,14,15aα-テトラデカヒドロ-7-オキサ-7H-シクロドデカ[a]インデン-6,14-ジオン
  • (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-2-{[(2R,3R,4R,5S,6S)-4,5-ジメトキシ-6-メチル-3-(ペンチルオキシ)オキサン-2-イル]オキシ}-13-{[(2R,5S,6R)-5-(ジメチルアミノ)-6-メチルオキサン-2-イル]オキシ}-9-エチル-14-メチル-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-インダセノ[3,2-d]オキサシクロドデカン-7,15-ジオン
  • (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-2-{[(2R,3R,4R,5S,6S)-4,5-dimethoxy-6-methyl-3-(pentyloxy)oxan-2-yl]oxy}-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione
Other name (1)：
  • (1R,17R)-8β-Ethyl-12α-[5α-(dimethylamino)-6β-methyltetrahydro-2H-pyran-2β-yloxy]-13β-methyl-17-(2-O-pentyl-3-O,4-O-dimethyl-α-L-rhamnopyranosyloxy)-1α,2β-propano-1,2,4aα,4bβ,5,6,8,9,10,11,12,13,14,15aα-tetradecahydro-7-oxa-7H-cyclododeca[a]indene-6,14-dione
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