Chem
J-GLOBAL ID：202007009420353125   Nikkaji number：J3.755.512F

(13α)-3α,12α-Diacetoxy-1α,7α-dihydroxy-25-methoxy-19,25-epoxymeliacane-11,15-dione

(13α)-3α,12α-ジアセトキシ-1α,7α-ジヒドロキシ-25-メトキシ-19,25-エポキシメリアカン-11,15-ジオン
Substance type：
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
Molecular formula： C31H40O11
Molecular formula furigana： C31-H40-O11
Molecular weight： 588.650
InChI： InChI=1S/C31H40O11/c1-14(32)41-22-11-21(36)31-13-40-27(38-6)29(22,4)19(31)10-20(35)30(5)24-18(34)9-17(16-7-8-39-12-16)28(24,3)26(42-15(2)33)23(37)25(30)31/h7-8,12,17,19-22,24-27,35-36H,9-11,13H2,1-6H3/t17-,19-,20+,21-,22+,24+,25-,26-,27?,28-,29+,30-,31+/m0/s1
InChI key： BDDJYJXRSCPZJV-FPTWTGCUSA-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)COC2OC)C)OC(=O)C)O
Systematic name  (3)：
  • (13α)-3α,12α-ジアセトキシ-1α,7α-ジヒドロキシ-25-メトキシ-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)-11,18-ジヒドロキシ-15-メトキシ-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)-11,18-dihydroxy-15-methoxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-4-yl acetate
Other name (1)：
  • (13α)-3α,12α-Diacetoxy-1α,7α-dihydroxy-25-methoxy-19,25-epoxymeliacane-11,15-dione
Thsaurus map：
Thesaurus Map

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