Chem
J-GLOBAL ID：200907016111803050   Nikkaji number：J1.316.497E

(1R,17R)-8β-Ethyl-12α-[5α-(methylamino)-6β-methyltetrahydro-2H-pyran-2β-yloxy]-13β-methyl-17-(2-O-methyl-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-(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-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： C38H59NO10
Molecular formula furigana： C38-H59-N-O10
Molecular weight： 689.887
InChI： InChI=1S/C38H59NO10/c1-7-23-9-8-10-31(49-33-14-13-30(39-5)20(3)45-33)19(2)34(41)29-17-27-25(28(29)18-32(40)47-23)12-11-22-15-24(16-26(22)27)48-38-37(44-6)36(43)35(42)21(4)46-38/h11-12,17,19-28,30-31,33,35-39,42-43H,7-10,13-16,18H2,1-6H3/t19-,20-,21+,22-,23+,24-,25-,26-,27-,28+,30+,31+,33+,35+,36-,37-,38+/m1/s1
InChI key： MOOTUAUSYPEALP-NQOLTVKPSA-N
SMILES： CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](NC)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1OC
Systematic name  (3)：
  • (1R,17R)-8β-エチル-12α-[5α-(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-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,5R,6S)-4,5-ジヒドロキシ-3-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-13-{[(2R,5S,6R)-6-メチル-5-(メチルアミノ)オキサン-2-イル]オキシ}-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,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-13-{[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]oxy}-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-(methylamino)-6β-methyltetrahydro-2H-pyran-2β-yloxy]-13β-methyl-17-(2-O-methyl-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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