Basic Information |
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Product Name: | (20S, 22S, 25S)-FUROST-4, 6-DIENE-6-METHOXY-26-OL-3-ONE |
English Synonyms: | (20S, 22S, 25S)-FUROST-4, 6-DIENE-6-METHOXY-26-OL-3-ONE ; 6-METHOXY-6-DEHYDRONUATIGENONE (XV) |
MDL Number.: | MFCD22200326 |
H bond acceptor: | 5 |
H bond donor: | 1 |
Smile: | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3C=C(C5=CC(=O)CC[C@]45C)OC)C)O[C@]16CC[C@@](O6)(C)CO |
InChi: | InChI=1S/C28H40O5/c1-16-24-23(32-28(16)11-10-25(2,15-29)33-28)14-20-18-13-22(31-5)21-12-17(30)6-8-26(21,3)19(18)7-9-27(20,24)4/h12-13,16,18-20,23-24,29H,6-11,14-15H2,1-5H3/t16-,18+,19-,20-,23-,24-,25-,26+,27-,28-/m0/s1 |
InChiKey: | InChIKey=KJWITIKUBQLDPB-CZWKKHRPSA-N |
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