Chem
J-GLOBAL ID：200907001041536680
Nikkaji number：J2.183.228F
(2R,3S,4S,6R,7R,10S,13S,14R,15R,16S,17S)-2,7,17-Tris(tert-butyldimethylsiloxy)-3-methoxy-4,6,8,10,14-pentamethyl-5,11-dioxo-13-hydroxy-15-(triethylsiloxy)-16-(allyloxycarbonyloxymethyl)-17-[(2S)-2-methyl-3β-[(1S,2Z)-1-methyl-2-butenyl]oxirane-2α-yl]-8-heptadecenoic acid allyl ester
(2R,3S,4S,6R,7R,10S,13S,14R,15R,16S,17S)-2,7,17-トリス(tert-ブチルジメチルシロキシ)-3-メトキシ-4,6,8,10,14-ペンタメチル-5,11-ジオキソ-13-ヒドロキシ-15-(トリエチルシロキシ)-16-(アリルオキシカルボニルオキシメチル)-17-[(2S)-2-メチル-3β-[(1S,2Z)-1-メチル-2-ブテニル]オキシラン-2α-イル]-8-ヘプタデセン酸アリル
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
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
Molecular formula： C63H118O14Si4
Molecular formula furigana： C63-H118-O14-SI4
Molecular weight： 1211.963
InChI：
InChI=1S/C63H118O14Si4/c1-30-36-42(7)56-63(22,73-56)57(77-80(28,29)62(19,20)21)48(41-72-59(68)71-38-32-3)53(76-81(33-4,34-5)35-6)45(10)50(65)40-49(64)43(8)39-44(9)52(74-78(24,25)60(13,14)15)46(11)51(66)47(12)54(69-23)55(58(67)70-37-31-2)75-79(26,27)61(16,17)18/h30-32,36,39,42-43,45-48,50,52-57,65H,2-3,33-35,37-38,40-41H2,1,4-29H3/b36-30-,44-39?/t42-,43-,45+,46-,47+,48-,50-,52-,53+,54-,55+,56+,57-,63-/m0/s1
InChI key：
NCMJGKAEPQCHFL-RRUAOXBGSA-N
SMILES：
CC[Si](CC)(CC)O[C@H]([C@H](C)[C@@H](O)CC(=O)[C@@H](C)C=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)[C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCC=C)[C@H](COC(=O)OCC=C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)O[C@@H]1[C@@H](C)/C=C\C
Systematic name (3)：
- (2R,3S,4S,6R,7R,10S,13S,14R,15R,16S,17S)-2,7,17-トリス(tert-ブチルジメチルシロキシ)-3-メトキシ-4,6,8,10,14-ペンタメチル-5,11-ジオキソ-13-ヒドロキシ-15-(トリエチルシロキシ)-16-(アリルオキシカルボニルオキシメチル)-17-[(2S)-2-メチル-3β-[(1S,2Z)-1-メチル-2-ブテニル]オキシラン-2α-イル]-8-ヘプタデセン酸アリル
- プロパ-2-エン-1-イル (2R,3S,4S,6R,7R,10S,13S,14R,15R,16S,17S)-2,7,17-トリス[(tert-ブチルジメチルシリル)オキシ]-13-ヒドロキシ-3-メトキシ-4,6,8,10,14-ペンタメチル-17-[(2S,3R)-2-メチル-3-[(2S,3Z)-ペンタ-3-エン-2-イル]オキシラン-2-イル]-5,11-ジオキソ-16-({[(プロパ-2-エン-1-イルオキシ)カルボニル]オキシ}メチル)-15-[(トリエチルシリル)オキシ]ヘプタデカ-8-エノアート
- prop-2-en-1-yl (2R,3S,4S,6R,7R,10S,13S,14R,15R,16S,17S)-2,7,17-tris[(tert-butyldimethylsilyl)oxy]-13-hydroxy-3-methoxy-4,6,8,10,14-pentamethyl-17-[(2S,3R)-2-methyl-3-[(2S,3Z)-pent-3-en-2-yl]oxiran-2-yl]-5,11-dioxo-16-({[(prop-2-en-1-yloxy)carbonyl]oxy}methyl)-15-[(triethylsilyl)oxy]heptadec-8-enoate
- (2R,3S,4S,6R,7R,10S,13S,14R,15R,16S,17S)-2,7,17-Tris(tert-butyldimethylsiloxy)-3-methoxy-4,6,8,10,14-pentamethyl-5,11-dioxo-13-hydroxy-15-(triethylsiloxy)-16-(allyloxycarbonyloxymethyl)-17-[(2S)-2-methyl-3β-[(1S,2Z)-1-methyl-2-butenyl]oxirane-2α-yl]-8-heptadecenoic acid allyl ester
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