| SpectraBase Compound ID | 7TXg7rH3yGP |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15/h3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3/t11-,12-,14+,15+,16-,17-,19-/m0/s1 |
| InChIKey | ZDFOBOYQVYMVCW-IRUSZSJRSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JRLRIT9j8n7 |
|---|---|
| Name | Monacolin J |
| Alternate Name(s) | (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-2-oxanone (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-oxidanyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-oxidanyl-oxan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15/h3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3/t11-,12-,14+,15+,16-,17-,19-/m0/s1 |
| InChIKey | ZDFOBOYQVYMVCW-IRUSZSJRSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | O[C@]1(C[C@](C=C2[C@]1([C@@](CC[C@]1(OC(C[C@@](C1)(O)[H])=O)[H])([C@](C=C2)(C)[H])[H])[H])(C)[H])[H] |
| SPLASH | splash10-0a4i-0900000000-b2889272ebe6a396fd14 |
| Source of Spectrum | J-1-56-9 |
| Wiley ID | 1577564 |