| SpectraBase Spectrum ID |
Ll6XLJtgTgJ |
| Name |
(5S*,8R*,8aS*,9S*,10R*,10aR*)-4,9,10-Trihydroxy-1-methyloxy-5,8,8a,9,10,10a-hexahydro-5,8-methanoanthracene |
| Alternate Name(s) |
(1R,2S,3S,10R,11R,12S)-8-methoxytetracyclo[10.2.1.0(2,11).0(4,9)]pentadeca-4,6,8,13-tetraene-3,5,10-triol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O4 |
| InChI |
InChI=1S/C16H18O4/c1-20-10-5-4-9(17)13-14(10)16(19)12-8-3-2-7(6-8)11(12)15(13)18/h2-5,7-8,11-12,15-19H,6H2,1H3/t7-,8+,11-,12+,15-,16+/m0/s1 |
| InChIKey |
OJAKJMCONSVUGE-ZECLNBCESA-N |
| Molecular Weight |
274.316 g/mol |
| SMILES |
O[C@]1(c2c(c(ccc2OC)O)[C@]([C@@]2([C@]1([C@@]1(C=C[C@]2(C1)[H])[H])[H])[H])(O)[H])[H] |
| SPLASH |
splash10-00fr-0290000000-68154fdbd9ec7913979a |
| Source of Spectrum |
J-65-6333-30 |
| Wiley ID |
1533268 |
