| SpectraBase Spectrum ID |
7BQxHmv0uDF |
| Name |
rel-(4aS*,10aR*)-(()-6,7-Dibromo-4a-hydroxy-3,8-dihydroxymethyl-10a-methoxy-1,4,4a,10a-tetrahydrodibenzo-[b,e][1,4]dioxin-1-one |
| Appearance |
Brown powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H14Br2O7 |
| InChI |
InChI=1S/C15H14Br2O7/c1-22-15-10(20)2-7(5-18)4-14(15,21)24-13-9(23-15)3-8(6-19)11(16)12(13)17/h2-3,18-19,21H,4-6H2,1H3/t14-,15-/m0/s1 |
| InChIKey |
OKQAIDYFZYZNBH-GJZGRUSLSA-N |
| Instrument Name |
Micromass Autospec-Ultima ETOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0400609 |
| Molecular Weight |
466.078 g/mol |
| Optical Rotation |
[a]D20 = 0 (c = 0.10, MeOH) |
| Reported Formula |
C15H14(79)Br2O7 |
| SMILES |
OCc1cc2O[C@]3(C(C=C(C[C@@]3(Oc2c(c1Br)Br)O)CO)=O)OC |
| SPLASH |
splash10-074j-3974000000-ceecb059ad313b593071 |
| Source of Spectrum |
G4-67-1666-6 |
| Wiley ID |
1881548 |
![rel-(4aS*,10aR*)-(()-6,7-Dibromo-4a-hydroxy-3,8-dihydroxymethyl-10a-methoxy-1,4,4a,10a-tetrahydrodibenzo-[b,e][1,4]dioxin-1-one](/api/spectrum/7BQxHmv0uDF/structure.png?h=300&w=458 "rel-(4aS*,10aR*)-(()-6,7-Dibromo-4a-hydroxy-3,8-dihydroxymethyl-10a-methoxy-1,4,4a,10a-tetrahydrodibenzo-[b,e][1,4]dioxin-1-one")
