Chem
J-GLOBAL ID：200907004888618649   Nikkaji number：J1.886.727C

(4aα,6R,9S)-4-Methylene-11aβ,12,12-trimethyl-13-oxododecahydro-6,9-ethano-10β,11α-[[(R)-(4-methoxyphenyl)methylene]bisoxy]-1H-benzocyclononene-1β,5α,6α-triol 1,5-dibenzoate

(4aα,6R,9S)-4-メチレン-11aβ,12,12-トリメチル-13-オキソドデカヒドロ-6,9-エタノ-10β,11α-[[(R)-(4-メトキシフェニル)メチレン]ビスオキシ]-1H-ベンゾシクロノネン-1β,5α,6α-トリオール1,5-ジベンゾアート
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： C41H44O9
Molecular formula furigana： C41-H44-O9
Molecular weight： 680.794
InChI： InChI=1S/C41H44O9/c1-24-16-21-30(47-35(42)25-12-8-6-9-13-25)40(4)31(24)33(49-36(43)26-14-10-7-11-15-26)41(45)23-22-29(39(2,3)38(41)44)32-34(40)50-37(48-32)27-17-19-28(46-5)20-18-27/h6-15,17-20,29-34,37,45H,1,16,21-23H2,2-5H3/t29-,30+,31+,32-,33+,34+,37-,40-,41-/m1/s1
InChI key： SYWXVLYSVAXZHG-GXIUCEIZSA-N
SMILES： COc1ccc(cc1)[C@@H]1O[C@H]2[C@H](O1)[C@]1(C)[C@H](CCC(=C)[C@H]1[C@H](OC(=O)c1ccccc1)[C@]1(O)CC[C@H]2C(C)(C)C1=O)OC(=O)c1ccccc1
Systematic name  (3)：
  • (4aα,6R,9S)-4-メチレン-11aβ,12,12-トリメチル-13-オキソドデカヒドロ-6,9-エタノ-10β,11α-[[(R)-(4-メトキシフェニル)メチレン]ビスオキシ]-1H-ベンゾシクロノネン-1β,5α,6α-トリオール1,5-ジベンゾアート
  • (1S,2R,4R,6R,7S,8S,12R,13S,14R)-8-(ベンゾイルオキシ)-14-ヒドロキシ-4-(4-メトキシフェニル)-7,16,16-トリメチル-11-メチリデン-15-オキソ-3,5-ジオキサテトラシクロ[12.2.2.02,6.07,12]オクタデカン-13-イル ベンゾアート
  • (1S,2R,4R,6R,7S,8S,12R,13S,14R)-8-(benzoyloxy)-14-hydroxy-4-(4-methoxyphenyl)-7,16,16-trimethyl-11-methylidene-15-oxo-3,5-dioxatetracyclo[12.2.2.02,6.07,12]octadecan-13-yl benzoate
Other name (1)：
  • (4aα,6R,9S)-4-Methylene-11aβ,12,12-trimethyl-13-oxododecahydro-6,9-ethano-10β,11α-[[(R)-(4-methoxyphenyl)methylene]bisoxy]-1H-benzocyclononene-1β,5α,6α-triol 1,5-dibenzoate
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