Chem
J-GLOBAL ID：201507019823858841
Nikkaji number：J3.394.395D
(2R)-1-Ethynyl-2-((4S,5S,6R)-2,2,5-trimethyl-6-(10-(tert-butylcarbonyloxy)decyl)-1,3-dioxane-4-yl)propane-1-ol
10-[(4R,5S,6S)-6-[(2R)-3-ヒドロキシペンタ-4-イン-2-イル]-2,2,5-トリメチル-1,3-ジオキサン-4-イル]デシル 2,2-ジメチルプロパノアート
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： C27H48O5
Molecular formula furigana： C27-H48-O5
Molecular weight： 452.676
InChI：
InChI=1S/C27H48O5/c1-9-22(28)20(2)24-21(3)23(31-27(7,8)32-24)18-16-14-12-10-11-13-15-17-19-30-25(29)26(4,5)6/h1,20-24,28H,10-19H2,2-8H3/t20-,21+,22?,23-,24+/m1/s1
InChI key：
FDOGRYUWWRDTGT-VYJVTFEWSA-N
SMILES：
C[C@H](C(O)C#C)[C@@H]1OC(C)(C)O[C@H](CCCCCCCCCCOC(=O)C(C)(C)C)[C@@H]1C
Systematic name (3)：
- (2R)-1-エチニル-2-((4S,5S,6R)-2,2,5-トリメチル-6-(10-(tert-ブチルカルボニルオキシ)デシル)-1,3-ジオキサン-4-イル)プロパン-1-オール
- 10-[(4R,5S,6S)-6-[(2R)-3-ヒドロキシペンタ-4-イン-2-イル]-2,2,5-トリメチル-1,3-ジオキサン-4-イル]デシル 2,2-ジメチルプロパノアート
- 10-[(4R,5S,6S)-6-[(2R)-3-hydroxypent-4-yn-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]decyl 2,2-dimethylpropanoate
- (2R)-1-Ethynyl-2-((4S,5S,6R)-2,2,5-trimethyl-6-(10-(tert-butylcarbonyloxy)decyl)-1,3-dioxane-4-yl)propane-1-ol
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