Chem
J-GLOBAL ID：200907061029081831   Nikkaji number：J1.316.498C

1α,2β-[(R)-2-(2-O-Ethyl-3-O,4-O-dimethyl-α-L-rhamnopyranosyloxy)propane-1,3-diyl]-8β-ethyl-12α-[[5α-(dimethylamino)-6β-methyltetrahydro-2H-pyran]-2β-yloxy]-13β-methyl-1,2,4aα,4bβ,8,9,10,11,12,13-decahydro-7-oxa-7H-cyclododeca[a]indene-6,14(5H,15aαH)-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-エチル-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： C42H67NO10
Molecular formula furigana： C42-H67-N-O10
Molecular weight： 745.995
InChI： InChI=1S/C42H67NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(48-11-2)40(47-9)39(46-8)25(5)50-42/h15-16,21,23-32,34-35,37,39-42H,10-14,17-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1
InChI key： HVOHHKDMJXAHBZ-RWGFPKGXSA-N
SMILES： CCO[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  (4)：
  • (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-エチル-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
  • 1α,2β-[(R)-2-(2-O-エチル-3-O,4-O-ジメチル-α-L-ラムノピラノシルオキシ)プロパン-1,3-ジイル]-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-1,2,4aα,4bβ,8,9,10,11,12,13-デカヒドロ-7-オキサ-7H-シクロドデカ[a]インデン-6,14(5H,15aαH)-ジオン
  • (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-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}-2-{[(2R,3R,4R,5S,6S)-3-エトキシ-4,5-ジメトキシ-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)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6S)-3-ethoxy-4,5-dimethoxy-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 (2)：
  • (1R,17R)-8β-Ethyl-12α-[5α-(dimethylamino)-6β-methyltetrahydro-2H-pyran-2β-yloxy]-13β-methyl-17-(2-O-ethyl-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
  • 1α,2β-[(R)-2-(2-O-Ethyl-3-O,4-O-dimethyl-α-L-rhamnopyranosyloxy)propane-1,3-diyl]-8β-ethyl-12α-[[5α-(dimethylamino)-6β-methyltetrahydro-2H-pyran]-2β-yloxy]-13β-methyl-1,2,4aα,4bβ,8,9,10,11,12,13-decahydro-7-oxa-7H-cyclododeca[a]indene-6,14(5H,15aαH)-dione
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