| SpectraBase Compound ID | 50jgBUNJKm |
|---|---|
| InChI | InChI=1S/C24H34O4S/c1-14-7-6-8-20-23(14,4)10-9-15(2)24(20,5)13-17-11-18(25)12-19(21(17)26)29-16(3)22(27)28/h7,11-12,15-16,20,25-26H,6,8-10,13H2,1-5H3,(H,27,28)/t15-,16?,20+,23+,24+/m0/s1 |
| InChIKey | KADIXQAVRLWQEJ-KLUOJADYSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C24H34O4S |
| Exact Mass | 418.217781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fujr0eylxMM |
|---|---|
| Name | Avarol-3'-thiolactate |
| Alternate Name(s) | 2-[[3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,5-dihydroxyphenyl]thio]propanoic acid 2-[3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,5-dihydroxyphenyl]sulfanylpropanoic acid 2-[3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,5-dihydroxy-phenyl]sulfanylpropanoic acid 2-[3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,5-bis(oxidanyl)phenyl]sulfanylpropanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H34O4S |
| InChI | InChI=1S/C24H34O4S/c1-14-7-6-8-20-23(14,4)10-9-15(2)24(20,5)13-17-11-18(25)12-19(21(17)26)29-16(3)22(27)28/h7,11-12,15-16,20,25-26H,6,8-10,13H2,1-5H3,(H,27,28)/t15-,16?,20+,23+,24+/m0/s1 |
| InChIKey | KADIXQAVRLWQEJ-KLUOJADYSA-N |
| Molecular Weight | 418.592 g/mol |
| SMILES | OC(C(Sc1c(c(cc(c1)O)C[C@]1([C@]2([C@@](C(=CCC2)C)(CC[C@@]1(C)[H])C)[H])C)O)C)=O |
| SPLASH | splash10-0002-9820100000-5f5aa9b7d849131d2b31 |
| Source of Spectrum | G4-71-1852-6 |
| Wiley ID | 1695227 |