![3a,10a-Dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-3a,4,6a,7,9,10,10a,10b-octahydrobenzo[e]azulene-3,8-dione](/api/spectrum/7e0Rf1aaWyF/structure.png?h=300&w=458 "3a,10a-Dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-3a,4,6a,7,9,10,10a,10b-octahydrobenzo[e]azulene-3,8-dione")
| SpectraBase Compound ID | Gb4lrGHHGhc |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-9-3-14-16(21,15(9)20)7-11(8-18)5-12-6-13(19)4-10(2)17(12,14)22/h3,5,10,12,14,18,21-22H,4,6-8H2,1-2H3 |
| InChIKey | KDQNKMYEHUZPDZ-UHFFFAOYSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7e0Rf1aaWyF |
|---|---|
| Name | 3a,10a-Dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-3a,4,6a,7,9,10,10a,10b-octahydrobenzo[e]azulene-3,8-dione |
| CAS Registry Number | 25578-89-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-9-3-14-16(21,15(9)20)7-11(8-18)5-12-6-13(19)4-10(2)17(12,14)22/h3,5,10,12,14,18,21-22H,4,6-8H2,1-2H3 |
| InChIKey | KDQNKMYEHUZPDZ-UHFFFAOYSA-N |
| Molecular Weight | 306.358 g/mol |
| SMILES | OC12CC(CO)=CC3CC(CC(C3(C1C=C(C2=O)C)O)C)=O |
| SPLASH | splash10-0a6u-7940000000-3f5e7772cf4c1e034e90 |
| Source of Spectrum | W5-0-0-0 |
| Synonyms | 3a,10a-dihydroxy-2,10-dimethyl-5-methylol-4,6a,7,9,10,10b-hexahydrobenz[e]azulene-3,8-quinone 3a,10a-dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulene-3,8-dione 5-(hydroxymethyl)-2,10-dimethyl-3a,10a-bis(oxidanyl)-4,6a,7,9,10,10b-hexahydrobenzo[e]azulene-3,8-dione Benz[e]azulene-3,8-dione, 3a,4,6a,7,9,10,10a,10b-octahydro-3a,10a-dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-, (3a.alpha.,6a.alpha.,10.beta.,10a.beta.,10b.beta.)-(+)- |
| Wiley ID | 1308060 |