| SpectraBase Compound ID | 29lHf2uwlrY |
|---|---|
| InChI | InChI=1S/C26H40O8/c1-6-29-22-12-18-11-20(33-23(18)34-22)24(5)15(2)10-21(32-17(4)28)26(14-30-16(3)27)19(24)8-7-9-25(26)13-31-25/h15,18-23H,6-14H2,1-5H3/t15-,18+,19-,20+,21+,22-,23-,24+,25+,26+/m1/s1 |
| InChIKey | NNGXCYCJTUSCQE-YVXNCJKZSA-N |
| Mol Weight | 480.6 g/mol |
| Molecular Formula | C26H40O8 |
| Exact Mass | 480.272318 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5BZEE2aHI0y |
|---|---|
| Name | 15-.beta.-Ethoxy-14-hydroclerrdin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H40O8 |
| InChI | InChI=1S/C26H40O8/c1-6-29-22-12-18-11-20(33-23(18)34-22)24(5)15(2)10-21(32-17(4)28)26(14-30-16(3)27)19(24)8-7-9-25(26)13-31-25/h15,18-23H,6-14H2,1-5H3/t15-,18+,19-,20+,21+,22-,23-,24+,25+,26+/m1/s1 |
| InChIKey | NNGXCYCJTUSCQE-YVXNCJKZSA-N |
| Molecular Weight | 480.598 g/mol |
| SMILES | [C@@]12([C@]3(OC3)CCC[C@@]1([C@]([C@]1(O[C@@]3(O[C@](C[C@@]3(C1)[H])(OCC)[H])[H])[H])(C)[C@@](C[C@@]2(OC(=O)C)[H])(C)[H])[H])COC(=O)C |
| SPLASH | splash10-03di-0920000000-22780153912a7ef66ed4 |
| Source of Spectrum | E1-44-1543-3 |
| Synonyms | Acetic acid [(4R,4aR,5S,7R,8S,8aR)-8-[(2S,3aS,5R,6aR)-5-ethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-5-acetyloxy-7,8-dimethyl-4a-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]yl]methyl ester [(4R,4aR,5S,7R,8S,8aR)-8-[(2S,3aS,5R,6aR)-5-ethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-5-acetyloxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate [(1S,2R,4S,4aR,5R,8aR)-1-[(2S,3aS,5R,6aR)-5-ethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-4-acetoxy-1,2-dimethyl-spiro[decalin-5,2'-oxirane]-4a-yl]methyl acetate [(4R,4aR,5S,7R,8S,8aR)-8-[(2S,3aS,5R,6aR)-5-ethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-5-acetyloxy-7,8-dimethyl-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl ethanoate |
| Wiley ID | 1553561 |