![ALPHA-GARDIOL;(2AR,4AR,5R,6R,7AR,7Br)-(+)-2A,4A,5,6,7A,7B-HEXAHYDRO-2A,6-DIHYDROXY-2H-1,7-DIOXACYClOPENT-[CD]-INDENE-5-CARBOXYLIC-ACID-METHYLESTER](/api/spectrum/ByWeVyKq5u/structure.png?h=300&w=458 "ALPHA-GARDIOL;(2AR,4AR,5R,6R,7AR,7Br)-(+)-2A,4A,5,6,7A,7B-HEXAHYDRO-2A,6-DIHYDROXY-2H-1,7-DIOXACYClOPENT-[CD]-INDENE-5-CARBOXYLIC-ACID-METHYLESTER")
| SpectraBase Compound ID | 5Q8s6F2d57M |
|---|---|
| InChI | InChI=1S/C11H14O6/c1-15-8(12)6-5-2-3-11(14)4-16-10(7(5)11)17-9(6)13/h2-3,5-7,9-10,13-14H,4H2,1H3/t5-,6+,7-,9+,10+,11-/m1/s1 |
| InChIKey | QEGAWOPOQXLXMR-NERBKRFESA-N |
| Mol Weight | 242.23 g/mol |
| Molecular Formula | C11H14O6 |
| Exact Mass | 242.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ByWeVyKq5u |
|---|---|
| Name | BETA-GARDIOL |
| Compound Number | 334 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C11H14O6 |
| InChI | InChI=1S/C11H14O6/c1-15-8(12)6-5-2-3-11(14)4-16-10(7(5)11)17-9(6)13/h2-3,5-7,9-10,13-14H,4H2,1H3/t5-,6+,7-,9+,10+,11-/m1/s1 |
| InChIKey | QEGAWOPOQXLXMR-NERBKRFESA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 242.229 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ16295 |