| SpectraBase Compound ID | C1BzeRHEGgF |
|---|---|
| InChI | InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-,18?,21+,22+,28+/m1/s1 |
| InChIKey | OOAOETHJYYAVCC-XWWMBYKISA-N |
| Mol Weight | 472.6 g/mol |
| Molecular Formula | C28H40O6 |
| Exact Mass | 472.282489 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F8EkQIGfhs6 |
|---|---|
| Name | Macrocarpal H |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O6 |
| InChI | InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-,18?,21+,22+,28+/m1/s1 |
| InChIKey | OOAOETHJYYAVCC-XWWMBYKISA-N |
| Molecular Weight | 472.622 g/mol |
| SMILES | Oc1c(c(c(c(c1C([C@]1([C@@]2(CC[C@@](C(O)(C)C)(C[C@]2(C(CC1)=C)[H])[H])C)[H])CC(C)C)O)C=O)O)C=O |
| SPLASH | splash10-0udj-0770900000-ef9cf9c379787c8f75b2 |
| Source of Spectrum | G4-59-827-7 |
| Synonyms | 5-[1-[(1S,4aS,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarboxaldehyde 5-[1-[(1S,4aS,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde 5-[1-[(1S,4aS,6R,8aS)-6-(1-hydroxy-1-methyl-ethyl)-8a-methyl-4-methylene-decalin-1-yl]-3-methyl-butyl]-2,4,6-trihydroxy-benzene-1,3-dicarbaldehyde 5-[1-[(1S,4aS,6R,8aS)-8a-methyl-4-methylidene-6-(2-oxidanylpropan-2-yl)-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methyl-butyl]-2,4,6-tris(oxidanyl)benzene-1,3-dicarbaldehyde |
| Wiley ID | 1606436 |