Chem
J-GLOBAL ID:200907001551165015   Nikkaji number:J1.683.077A

(3E,5E,8R,9S,10S,11R,14S,15E,18R,20R,21E,24S)-8-[2-(Dimethylamino)-3-methoxypropanoyloxy]-9,11,15,18-tetramethyl-10-hydroxy-14,20-dimethoxy-24-[(1S,2S,3S,6R,7S,8R,9R)-1,3,7,9-tetramethyl-2,11-dihydroxy-6-[2-(dimethylamino)propanoyloxy]-8-acetoxyundecyl]-1-oxacyclotetracosane-3,5,15,21-tetrene-2-one

(3E,5E,8R,9S,10S,11R,14S,15E,18R,20R,21E,24S)-8-[2-(ジメチルアミノ)-3-メトキシプロパノイルオキシ]-9,11,15,18-テトラメチル-10-ヒドロキシ-14,20-ジメトキシ-24-[(1S,2S,3S,6R,7S,8R,9R)-1,3,7,9-テトラメチル-2,11-ジヒドロキシ-6-[2-(ジメチルアミノ)プロパノイルオキシ]-8-アセトキシウンデシル]-1-オキサシクロテトラコサン-3,5,15,21-テトラエン-2-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: C57H100N2O14
Molecular formula furigana: C57-H100-N2-O14
Molecular weight: 1037.426
InChI: InChI=1S/C57H100N2O14/c1-36-26-27-37(2)48(69-17)30-28-38(3)54(64)42(7)50(73-57(66)47(35-67-15)59(13)14)23-19-18-20-25-52(62)71-49(24-21-22-46(34-36)68-16)41(6)53(63)39(4)29-31-51(72-56(65)44(9)58(11)12)43(8)55(70-45(10)61)40(5)32-33-60/h18-22,25,27,36,38-44,46-51,53-55,60,63-64H,23-24,26,28-35H2,1-17H3/b19-18+,22-21+,25-20+,37-27+/t36-,38-,39+,40-,41-,42-,43+,44?,46+,47?,48+,49+,50?,51-,53+,54+,55-/m1/s1
InChI key: XLJJUFCWBFLJPZ-KEHWPMBWSA-N
SMILES: COCC(N(C)C)C(=O)OC1C/C=C/C=C/C(=O)O[C@@H](C/C=C/[C@@H](C[C@H](C)C/C=C(\C)/[C@H](CC[C@@H](C)[C@H](O)[C@@H]1C)OC)OC)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](OC(=O)C(C)N(C)C)[C@H](C)[C@H](OC(=O)C)[C@H](C)CCO
Systematic name  (3):
  • (3E,5E,8R,9S,10S,11R,14S,15E,18R,20R,21E,24S)-8-[2-(ジメチルアミノ)-3-メトキシプロパノイルオキシ]-9,11,15,18-テトラメチル-10-ヒドロキシ-14,20-ジメトキシ-24-[(1S,2S,3S,6R,7S,8R,9R)-1,3,7,9-テトラメチル-2,11-ジヒドロキシ-6-[2-(ジメチルアミノ)プロパノイルオキシ]-8-アセトキシウンデシル]-1-オキサシクロテトラコサン-3,5,15,21-テトラエン-2-オン
  • (3R,4R,5S,6R,9S,10S,11S)-4-(アセチルオキシ)-11-[(2S,4E,6R,8R,10E,12S,15R,16S,17S,18R,20E,22E)-18-{[2-(ジメチルアミノ)-3-メトキシプロパノイル]オキシ}-16-ヒドロキシ-6,12-ジメトキシ-8,11,15,17-テトラメチル-24-オキソ-1-オキサシクロテトラコサ-4,10,20,22-テトラエン-2-イル]-1,10-ジヒドロキシ-3,5,9-トリメチルドデカン-6-イル 2-(ジメチルアミノ)プロパノアート
  • (3R,4R,5S,6R,9S,10S,11S)-4-(acetyloxy)-11-[(2S,4E,6R,8R,10E,12S,15R,16S,17S,18R,20E,22E)-18-{[2-(dimethylamino)-3-methoxypropanoyl]oxy}-16-hydroxy-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-1,10-dihydroxy-3,5,9-trimethyldodecan-6-yl 2-(dimethylamino)propanoate
Other name (1):
  • (3E,5E,8R,9S,10S,11R,14S,15E,18R,20R,21E,24S)-8-[2-(Dimethylamino)-3-methoxypropanoyloxy]-9,11,15,18-tetramethyl-10-hydroxy-14,20-dimethoxy-24-[(1S,2S,3S,6R,7S,8R,9R)-1,3,7,9-tetramethyl-2,11-dihydroxy-6-[2-(dimethylamino)propanoyloxy]-8-acetoxyundecyl]-1-oxacyclotetracosane-3,5,15,21-tetrene-2-one
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