Chem
J-GLOBAL ID:200907039809756584
Nikkaji number:J1.979.206D
Sandrapin A
サンドラピンA
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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:
C33 H40 O14
Molecular formula furigana:
C33-H40-O14
Molecular weight:
660.669
InChI:
InChI=1S/C33H40O14/c1-14-21-23(38)31(7)19(12-20(37)41-9)30(5,6)26(44-16(3)35)22(43-15(2)34)27(31)47-33(14)28(45-17(4)36)29(40)46-25(18-10-11-42-13-18)32(33,8)24(21)39/h10-11,13,19,21-22,24-28,39H,1,12H2,2-9H3/t19-,21?,22-,24-,25-,26-,27-,28+,31-,32-,33+/m0/s1
InChI key:
JGEVFLGJEMYVDW-WMXQAWFWSA-N
SMILES:
COC(=O)C[C@H]1C(C)(C)[C@@H](OC(=O)C)[C@H](OC(=O)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,3β,15β-トリアセトキシ-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
メチル 2-[(1S,3R,4R,5R,7S,8R,10R,11S,12S,13S,16S)-4,5,16-トリス(アセチルオキシ)-13-(フラン-3-イル)-11-ヒドロキシ-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-7-イル]アセタート
methyl 2-[(1S,3R,4R,5R,7S,8R,10R,11S,12S,13S,16S)-4,5,16-tris(acetyloxy)-13-(furan-3-yl)-11-hydroxy-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12 .03,8 ]heptadecan-7-yl]acetate
Other name (3):
(11R)-2α,3β,15β-Triacetoxy-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A
Sandrapin A
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