Chem
J-GLOBAL ID:200907058769369269
Nikkaji number:J1.979.208K
Sandrapin C
サンドラピンC
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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:
C35 H44 O14
Molecular formula furigana:
C35-H44-O14
Molecular weight:
688.723
InChI:
InChI=1S/C35H44O14/c1-15(2)30(41)47-23-27(45-17(4)36)32(6,7)20(13-21(38)43-10)33(8)24(39)22-16(3)35(49-28(23)33)29(46-18(5)37)31(42)48-26(19-11-12-44-14-19)34(35,9)25(22)40/h11-12,14-15,20,22-23,25-29,40H,3,13H2,1-2,4-10H3/t20-,22?,23-,25-,26-,27-,28-,29+,33-,34-,35+/m0/s1
InChI key:
GVHROXNZSLWMJQ-YKPCLHNTSA-N
SMILES:
COC(=O)C[C@H]1C(C)(C)[C@@H](OC(=O)C)[C@H](OC(=O)C(C)C)[C@@H]2O[C@]34[C@H](OC(=O)C)C(=O)O[C@@H](c5ccoc5)[C@]3(C)[C@@H](O)[C@@H](C4=C)C(=O)[C@]12C
Systematic name (3):
(11R)-2α-(2-メチルプロパノイルオキシ)-3β,15β-ジアセトキシ-1α,14:21,23-ジエポキシ-12α-ヒドロキシ-8-メチレン-7-メトキシ-7,8:8,9-ジセコ-8,11-シクロ-16a-オキサ-16a-ホモ-24,25,26,27,30-ペンタノル-5α-チルカラ-20,22-ジエン-7,9,16-トリオン
(1S,3R,4R,5R,7S,8R,10R,11S,12S,13S,16S)-5,16-ビス(アセチルオキシ)-13-(フラン-3-イル)-11-ヒドロキシ-7-(2-メトキシ-2-オキソエチル)-6,6,8,12-テトラメチル-17-メチリデン-9,15-ジオキソ-2,14-ジオキサテトラシクロ[8.6.1.01,12 .03,8 ]ヘプタデカン-4-イル 2-メチルプロパノアート
(1S,3R,4R,5R,7S,8R,10R,11S,12S,13S,16S)-5,16-bis(acetyloxy)-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12 .03,8 ]heptadecan-4-yl 2-methylpropanoate
Other name (3):
(11R)-2α-(2-Methylpropanoyloxy)-3β,15β-diacetoxy-1α,14:21,23-diepoxy-12α-hydroxy-8-methylene-7-methoxy-7,8:8,9-diseco-8,11-cyclo-16a-oxa-16a-homo-24,25,26,27,30-pentanor-5α-tirucalla-20,22-diene-7,9,16-trione
サンドラピンC
Sandrapin C
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