| SpectraBase Compound ID | B40VPSxCfEt |
|---|---|
| InChI | InChI=1S/C28H46O5/c1-8-20(3)26(31)32-18-23(17-29)33-25(30)16-19(2)12-14-27(6)22(5)13-15-28(7)21(4)10-9-11-24(27)28/h8,19,22-24,29H,4,9-18H2,1-3,5-7H3/b20-8+/t19?,22-,23-,24-,27+,28+/m0/s1 |
| InChIKey | KZFNEPWJRDGYJJ-QDFVSROOSA-N |
| Mol Weight | 462.7 g/mol |
| Molecular Formula | C28H46O5 |
| Exact Mass | 462.334525 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EGjRD5t4EkW |
|---|---|
| Name | Archidorin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O5 |
| InChI | InChI=1S/C28H46O5/c1-8-20(3)26(31)32-18-23(17-29)33-25(30)16-19(2)12-14-27(6)22(5)13-15-28(7)21(4)10-9-11-24(27)28/h8,19,22-24,29H,4,9-18H2,1-3,5-7H3/b20-8+/t19?,22-,23-,24-,27+,28+/m0/s1 |
| InChIKey | KZFNEPWJRDGYJJ-QDFVSROOSA-N |
| Molecular Weight | 462.671 g/mol |
| SMILES | OC[C@](OC(CC(CC[C@]1([C@]2([C@@](C(=C)CCC2)(CC[C@@]1(C)[H])C)[H])C)C)=O)(COC(\C(=C\C)C)=O)[H] |
| SPLASH | splash10-001m-9200000000-0e65e22666a22e5f6f02 |
| Source of Spectrum | X2-56-1645-1 |
| Synonyms | 5-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [(2S)-1-hydroxy-3-[(E)-2-methyl-1-oxobut-2-enoxy]propan-2-yl] ester [(2S)-1-hydroxy-3-[(E)-2-methylbut-2-enoyl]oxypropan-2-yl] 5-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpentanoate [(1S)-1-(hydroxymethyl)-2-[(E)-2-methylbut-2-enoyl]oxy-ethyl] 5-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]-3-methyl-pentanoate [(2S)-1-[(E)-2-methylbut-2-enoyl]oxy-3-oxidanyl-propan-2-yl] 5-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methyl-pentanoate |
| Wiley ID | 1605096 |