| SpectraBase Spectrum ID |
8Pa8MWYOLDr |
| Name |
(1S,2R,6R,8S,9S)-4-Methoxycarbonyl-8,9-dimethoxy-8,9-dimethyl-7,10-dioxabicyclo[4.4.0]dec-3-en-2-dibenzoylphosphate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
562.196784315 u |
| Formula |
C28H35O10P |
| InChI |
InChI=1S/C28H35O10P/c1-27(32-4)28(2,33-5)37-25-23(36-27)16-22(26(29)31-3)17-24(25)38-39(30,34-18-20-12-8-6-9-13-20)35-19-21-14-10-7-11-15-21/h6-15,17,23-25H,16,18-19H2,1-5H3/t23-,24-,25+,27+,28+/m1/s1 |
| InChIKey |
JJSIHYSZRQJJEU-XWODRAHCSA-N |
| Molecular Weight |
562.552 g/mol |
| SMILES |
[C@@]12(O[C@@]([C@](O[C@@]1(CC(=C[C@]2(OP(=O)(OCC1=CC=CC=C1)OCC1=CC=CC=C1)[H])C(=O)OC)[H])(OC)C)(OC)C)[H] |
![(1S,2R,6R,8S,9S)-4-Methoxycarbonyl-8,9-dimethoxy-8,9-dimethyl-7,10-dioxabicyclo[4.4.0]dec-3-en-2-dibenzoylphosphate](/api/spectrum/8Pa8MWYOLDr/structure.png?h=300&w=458 "(1S,2R,6R,8S,9S)-4-Methoxycarbonyl-8,9-dimethoxy-8,9-dimethyl-7,10-dioxabicyclo[4.4.0]dec-3-en-2-dibenzoylphosphate")
