Catalog Number
ANC05931
Product Name
Spirosendan
Structure
Spirosendan
CAS Number
220137-96-2
IUPAC Name
[(1S,1'R,2S,3'R,4R,4'R,6S,7R,8R,9S,12S,13S,15R,16S)-13,15-diacetyloxy-4'-(furan-3-yl)-3',8-dihydroxy-1,3',12-trimethylspiro[5,10-dioxapentacyclo[7.6.1.14,7.02,7.012,16]heptadecane-6,2'-cyclopentane]-1'-yl] (E)-2-methylbut-2-enoate
Molecular Formula
C35H46O11
Molecular Weight
642.7
Purity
>98%
SMILES
C/C=C(\C)/C(=O)O[C@@H]1C[C@@H]([C@@]([C@]12[C@]34C[C@H](O2)C[C@H]3[C@@]5([C@@H](C[C@@H]([C@]6([C@H]5[C@@H]([C@@H]4O)OC6)C)OC(=O)C)OC(=O)C)C)(C)O)C7=COC=C7
InChI
InChI=1S/C35H46O11/c1-8-17(2)30(39)45-26-12-22(20-9-10-41-15-20)33(7,40)35(26)34-14-21(46-35)11-23(34)32(6)25(44-19(4)37)13-24(43-18(3)36)31(5)16-42-27(28(31)32)29(34)38/h8-10,15,21-29,38,40H,11-14,16H2,1-7H3/b17-8+/t21-,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33-,34-,35+/m1/s1
InChI Key
JTNATBHVCGLKLX-YREJYPSGSA-N
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