Chem
J-GLOBAL ID：202007016061522303
Nikkaji number：J3.755.541J
(13α)-3α,12α-ジアセトキシ-1α,7α,25-トリヒドロキシ-19,25-エポキシメリアカン-11,15-ジオン
(13α)-3α,12α-ジアセトキシ-1α,7α,25-トリヒドロキシ-19,25-エポキシメリアカン-11,15-ジオン
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： C30H38O11
Molecular formula furigana： C30-H38-O11
Molecular weight： 574.623
InChI：
InChI=1S/C30H38O11/c1-13(31)40-21-10-20(35)30-12-39-26(37)28(21,4)18(30)9-19(34)29(5)23-17(33)8-16(15-6-7-38-11-15)27(23,3)25(41-14(2)32)22(36)24(29)30/h6-7,11,16,18-21,23-26,34-35,37H,8-10,12H2,1-5H3/t16-,18-,19+,20-,21+,23+,24-,25-,26?,27-,28+,29-,30+/m0/s1
InChI key：
GEHGAWHOBGXBGC-MFIPDTIPSA-N
SMILES：
[C@@H]1(C[C@H]([C@]2([C@H]3[C@]1([C@@H]1[C@@]([C@@H](C3)O)([C@H]3[C@@]([C@H](C1=O)OC(=O)C)([C@@H](CC3=O)c1cocc1)C)C)COC2O)C)OC(=O)C)O
Systematic name (3)：
- (13α)-3α,12α-ジアセトキシ-1α,7α,25-トリヒドロキシ-19,25-エポキシメリアカン-11,15-ジオン
- (1S,2S,4R,5S,6S,9S,10S,11R,13R,14R,18S,20R)-20-(アセチルオキシ)-6-(フラン-3-イル)-11,15,18-トリヒドロキシ-5,10,14-トリメチル-3,8-ジオキソ-16-オキサペンタシクロ[12.3.3.01,13.02,10.05,9]イコサン-4-イルアセタート
- (1S,2S,4R,5S,6S,9S,10S,11R,13R,14R,18S,20R)-20-(acetyloxy)-6-(furan-3-yl)-11,15,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-4-yl acetate
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