Chem
J-GLOBAL ID：201907017394393360
Nikkaji number：J3.741.615K
(1S,3S,7S,11R,12S,13E,15R,17S)-5-[(tert-ブチルジフェニルシリル)オキシ]-11-エチニル-12,15-ジメチル-10,21,22-トリオキサトリシクロ[15.3.1.13,7]ドコサ-13-エン-9-オン
(1S,3S,7S,11R,12S,13E,15R,17S)-5-[(tert-ブチルジフェニルシリル)オキシ]-11-エチニル-12,15-ジメチル-10,21,22-トリオキサトリシクロ[15.3.1.13,7]ドコサ-13-エン-9-オン
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： C39H52O5Si
Molecular formula furigana： C39-H52-O5-SI
Molecular weight： 628.925
InChI：
InChI=1S/C39H52O5Si/c1-7-37-29(3)22-21-28(2)23-30-15-14-16-31(41-30)24-32-25-34(26-33(42-32)27-38(40)43-37)44-45(39(4,5)6,35-17-10-8-11-18-35)36-19-12-9-13-20-36/h1,8-13,17-22,28-34,37H,14-16,23-27H2,2-6H3/b22-21+/t28-,29-,30?,31-,32-,33-,34?,37-/m0/s1
InChI key：
CQTKHXVBYCEQPB-XXIZABJJSA-N
SMILES：
[C@@H]12O[C@@H](CC(C1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)O[C@H]([C@H](/C=C/[C@@H](C[C@@H]1CCC[C@H](O1)C2)C)C)C#C
Systematic name (2)：
- (1S,3S,7S,11R,12S,13E,15R,17S)-5-[(tert-ブチルジフェニルシリル)オキシ]-11-エチニル-12,15-ジメチル-10,21,22-トリオキサトリシクロ[15.3.1.13,7]ドコサ-13-エン-9-オン
- (1S,3S,7S,11R,12S,13E,15R,17S)-5-[(tert-butyldiphenylsilyl)oxy]-11-ethynyl-12,15-dimethyl-10,21,22-trioxatricyclo[15.3.1.13,7]docos-13-en-9-one
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