| SpectraBase Spectrum ID |
6iCx238HSDP |
| 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 |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.131073739 u |
| 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 |
[C@@]12(C(C=3C(O)=CC=CC3C([C@@]2([C@@]2([C@@](O)(CCCC2=C[C@@]1(OC)[H])[H])[H])[H])=O)=O)[H] |
![(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/6iCx238HSDP/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")
