Chem
J-GLOBAL ID：202007004362287913
Nikkaji number：J3.755.539H
(13α)-3α,12α-ジアセトキシ-1α,7α-ジヒドロキシ-14β,15β:19,25-ジエポキシメリアカン-11,25-ジオン
(13α)-3α,12α-ジアセトキシ-1α,7α-ジヒドロキシ-14β,15β:19,25-ジエポキシメリアカン-11,25-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： C30H36O11
Molecular formula furigana： C30-H36-O11
Molecular weight： 572.607
InChI：
InChI=1S/C30H36O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-24,33-34H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20+,21+,23-,24-,26+,27+,28+,29+,30+/m0/s1
InChI key：
BUGFIPIJDORNQR-SAPHVIBXSA-N
SMILES：
[C@@H]1(C[C@H]([C@]2([C@H]3[C@]1([C@@H]1[C@@]([C@@H](C3)O)([C@]34[C@@]([C@H](C1=O)OC(=O)C)([C@@H](C[C@H]3O4)c1cocc1)C)C)COC2=O)C)OC(=O)C)O
Systematic name (3)：
- (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,19S,21R)-21-(アセチルオキシ)-6-(フラン-3-イル)-12,19-ジヒドロキシ-5,11,15-トリメチル-3,16-ジオキソ-9,17-ジオキサヘキサシクロ[13.3.3.01,14.02,11.05,10.08,10]ヘンイコサン-4-イルアセタート
- (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,19S,21R)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3,16-dioxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-4-yl acetate
- (13α)-3α,12α-ジアセトキシ-1α,7α-ジヒドロキシ-14β,15β:19,25-ジエポキシメリアカン-11,25-ジオン
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