Chem
J-GLOBAL ID：200907020041835495   Nikkaji number：J2.196.291K

(5S)-2-Methyl-5-(tert-butyldimethylsiloxy)-6-[(2R)-6β-[(2S,3R,6R,7S,8S,9R,10S,11S)-2-methoxy-3,7,9,11-tetramethyl-4-oxo-6-hydroxy-8-(4-methoxybenzyloxy)-10-(methoxymethoxy)-13-[(2S)-4α-methoxy-6α-methyltetrahydro-2H-pyran-2β-yl]tridecyl]-5,6-dihydro-2H-pyran-2α-yl]-2-hexenoic acid methyl ester

(5S)-2-メチル-5-(tert-ブチルジメチルシロキシ)-6-[(2R)-6β-[(2S,3R,6R,7S,8S,9R,10S,11S)-2-メトキシ-3,7,9,11-テトラメチル-4-オキソ-6-ヒドロキシ-8-(4-メトキシベンジルオキシ)-10-(メトキシメトキシ)-13-[(2S)-4α-メトキシ-6α-メチルテトラヒドロ-2H-ピラン-2β-イル]トリデシル]-5,6-ジヒドロ-2H-ピラン-2α-イル]-2-ヘキセン酸メチル
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： C54H92O13Si
Molecular formula furigana： C54-H92-O13-SI
Molecular weight： 977.402
InChI： InChI=1S/C54H92O13Si/c1-35(20-24-45-30-47(60-12)28-37(3)65-45)51(64-34-58-10)40(6)52(63-33-41-22-26-42(59-11)27-23-41)39(5)49(56)32-48(55)38(4)50(61-13)31-44-19-17-18-43(66-44)29-46(25-21-36(2)53(57)62-14)67-68(15,16)54(7,8)9/h17-18,21-23,26-27,35,37-40,43-47,49-52,56H,19-20,24-25,28-34H2,1-16H3/t35-,37-,38-,39-,40-,43-,44-,45-,46-,47+,49+,50-,51-,52-/m0/s1
InChI key： LETVNXJIEYTNHZ-OITQQXNJSA-N
SMILES： COCO[C@@H]([C@@H](C)CC[C@H]1C[C@@H](C[C@H](C)O1)OC)[C@H](C)[C@@H](OCc1ccc(OC)cc1)[C@@H](C)[C@H](O)CC(=O)[C@H](C)[C@H](C[C@@H]1CC=C[C@@H](C[C@H](CC=C(C)C(=O)OC)O[Si](C)(C)C(C)(C)C)O1)OC
Systematic name  (3)：
  • (5S)-2-メチル-5-(tert-ブチルジメチルシロキシ)-6-[(2R)-6β-[(2S,3R,6R,7S,8S,9R,10S,11S)-2-メトキシ-3,7,9,11-テトラメチル-4-オキソ-6-ヒドロキシ-8-(4-メトキシベンジルオキシ)-10-(メトキシメトキシ)-13-[(2S)-4α-メトキシ-6α-メチルテトラヒドロ-2H-ピラン-2β-イル]トリデシル]-5,6-ジヒドロ-2H-ピラン-2α-イル]-2-ヘキセン酸メチル
  • メチル (5S)-5-[(tert-ブチルジメチルシリル)オキシ]-6-[(2R,6S)-6-[(2S,3R,6R,7S,8S,9R,10S,11S)-6-ヒドロキシ-2-メトキシ-13-[(2S,4R,6S)-4-メトキシ-6-メチルオキサン-2-イル]-10-(メトキシメトキシ)-8-[(4-メトキシフェニル)メトキシ]-3,7,9,11-テトラメチル-4-オキソトリデシル]-5,6-ジヒドロ-2H-ピラン-2-イル]-2-メチルヘキサ-2-エノアート
  • methyl (5S)-5-[(tert-butyldimethylsilyl)oxy]-6-[(2R,6S)-6-[(2S,3R,6R,7S,8S,9R,10S,11S)-6-hydroxy-2-methoxy-13-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-10-(methoxymethoxy)-8-[(4-methoxyphenyl)methoxy]-3,7,9,11-tetramethyl-4-oxotridecyl]-5,6-dihydro-2H-pyran-2-yl]-2-methylhex-2-enoate
Other name (1)：
  • (5S)-2-Methyl-5-(tert-butyldimethylsiloxy)-6-[(2R)-6β-[(2S,3R,6R,7S,8S,9R,10S,11S)-2-methoxy-3,7,9,11-tetramethyl-4-oxo-6-hydroxy-8-(4-methoxybenzyloxy)-10-(methoxymethoxy)-13-[(2S)-4α-methoxy-6α-methyltetrahydro-2H-pyran-2β-yl]tridecyl]-5,6-dihydro-2H-pyran-2α-yl]-2-hexenoic acid methyl ester
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