| SpectraBase Spectrum ID |
Ky3pIBjX3Oa |
| Name |
(1S,6S,6aR,12aR,12bS)-1,8-dihydroxy-6-methoxy-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracene-7,12-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H20O5 |
| InChI |
InChI=1S/C19H20O5/c1-24-13-8-9-4-2-6-11(20)14(9)17-16(13)19(23)15-10(18(17)22)5-3-7-12(15)21/h3,5,7-8,11,13-14,16-17,20-21H,2,4,6H2,1H3/t11-,13-,14-,16-,17+/m0/s1 |
| InChIKey |
NXDILNLLNCCXDW-OHYFQZGNSA-N |
| Molecular Weight |
328.364 g/mol |
| SMILES |
Oc1cccc2C([C@@]3([C@@]4([C@](CCCC4=C[C@@]([C@@]3(C(c12)=O)[H])(OC)[H])(O)[H])[H])[H])=O |
| SPLASH |
splash10-0002-0090000000-5c4fd9ea6948ece45280 |
| Source of Spectrum |
KC-0-1024-22 |
| Synonyms |
(1S,6S,6aR,12aR,12bS)-1,8-dihydroxy-6-methoxy-1,2,3,4,6,6a,12a,12b-octahydrobenz[a]anthracene-7,12-quinone
(1S,6S,6aR,12aR,12bS)-6-methoxy-1,8-bis(oxidanyl)-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracene-7,12-dione |
| Wiley ID |
783656 |
![(1S,6S,6aR,12aR,12bS)-1,8-dihydroxy-6-methoxy-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracene-7,12-dione](/api/spectrum/Ky3pIBjX3Oa/structure.png?h=300&w=458 "(1S,6S,6aR,12aR,12bS)-1,8-dihydroxy-6-methoxy-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracene-7,12-dione")
