| SpectraBase Compound ID | gerPFUSgFh |
|---|---|
| InChI | InChI=1S/C26H40O7/c1-14(27)30-17-13-19-25(6)11-8-10-24(4,5)18(25)9-12-26(19,7)21-20(17)22(31-15(2)28)33-23(21)32-16(3)29/h17-23H,8-13H2,1-7H3/t17-,18?,19?,20-,21+,22-,23+,25+,26-/m1/s1 |
| InChIKey | IBLOMGVQDRSARZ-ARVIJSBYSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C26H40O7 |
| Exact Mass | 464.277404 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4tIcP5qxZby |
|---|---|
| Name | 12-epi-Aplysillin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H40O7 |
| InChI | InChI=1S/C26H40O7/c1-14(27)30-17-13-19-25(6)11-8-10-24(4,5)18(25)9-12-26(19,7)21-20(17)22(31-15(2)28)33-23(21)32-16(3)29/h17-23H,8-13H2,1-7H3/t17-,18?,19?,20-,21+,22-,23+,25+,26-/m1/s1 |
| InChIKey | IBLOMGVQDRSARZ-ARVIJSBYSA-N |
| Molecular Weight | 464.599 g/mol |
| SMILES | [C@@]12([C@]3([C@@]([C@](OC(=O)C)(O[C@@]3(OC(=O)C)[H])[H])([H])[C@@](CC1[C@]1(CCCC(C1CC2)(C)C)C)(OC(=O)C)[H])[H])C |
| SPLASH | splash10-0006-0109000000-e2edf7ded22a7a13b7f5 |
| Source of Spectrum | X2-53-105-2 |
| Synonyms | Acetic acid [(1S,3R,3aR,3bR,9aS,11R,11aS)-1,3-diacetyloxy-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e]isobenzofuran-11-yl] ester [(1S,3R,3aR,3bR,9aS,11R,11aS)-1,3-diacetyloxy-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran-11-yl] acetate [(1S,3R,3aR,3bR,9aS,11R,11aS)-1,3-diacetoxy-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e]isobenzofuran-11-yl] acetate [(1S,3R,3aR,3bR,9aS,11R,11aS)-1,3-diacetyloxy-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran-11-yl] ethanoate |
| Wiley ID | 1603395 |