![METHYL-(4ASR,5SR,12ARS)-12A-HYDROXY-1,2,3,4,4A,5,6,11,12,12A-DECAHYDRODIBENZO-[A,E]-[8]-ANNULENE-5-CARBOXYLATE](/api/spectrum/KV28Wq1aOvk/structure.png?h=300&w=458 "METHYL-(4ASR,5SR,12ARS)-12A-HYDROXY-1,2,3,4,4A,5,6,11,12,12A-DECAHYDRODIBENZO-[A,E]-[8]-ANNULENE-5-CARBOXYLATE")
| SpectraBase Compound ID | KmdDk79oaGb |
|---|---|
| InChI | InChI=1S/C18H24O3/c1-21-17(19)15-12-14-7-3-2-6-13(14)9-11-18(20)10-5-4-8-16(15)18/h2-3,6-7,15-16,20H,4-5,8-12H2,1H3/t15-,16+,18-/m0/s1 |
| InChIKey | CMGGDKIQKHPGPS-JZXOWHBKSA-N |
| Mol Weight | 288.39 g/mol |
| Molecular Formula | C18H24O3 |
| Exact Mass | 288.172545 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KV28Wq1aOvk |
|---|---|
| Name | Methyl (4aSR,5SR,12RS)-12a-Hydroxy-1,2,3,4,4a,5,6,11,12,12a-decahydrodibenzo[a,e][8]annulene-5-carboxylate |
| Alternate Name(s) | (6aS,10aR,11S)-6a-hydroxy-6,7,8,9,10,10a,11,12-octahydro-5H-dibenzo[2,1-e:1',2'-j][8]annulene-11-carboxylic acid methyl ester Methyl (6aS,10aR,11S)-6a-hydroxy-6,7,8,9,10,10a,11,12-octahydro-5H-dibenzo[2,1-e:1',2'-j][8]annulene-11-carboxylate Methyl (6aS,10aR,11S)-6a-oxidanyl-6,7,8,9,10,10a,11,12-octahydro-5H-dibenzo[2,1-e:1',2'-j][8]annulene-11-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H24O3 |
| InChI | InChI=1S/C18H24O3/c1-21-17(19)15-12-14-7-3-2-6-13(14)9-11-18(20)10-5-4-8-16(15)18/h2-3,6-7,15-16,20H,4-5,8-12H2,1H3/t15-,16+,18-/m0/s1 |
| InChIKey | CMGGDKIQKHPGPS-JZXOWHBKSA-N |
| Molecular Weight | 288.387 g/mol |
| SMILES | O[C@@]12[C@@]([C@](Cc3c(CC2)cccc3)(C(=O)OC)[H])(CCCC1)[H] |
| SPLASH | splash10-05vw-2960000000-7cc50f9d870fbf20300e |
| Source of Spectrum | K1-0-4425-47 |
| Wiley ID | 1589574 |