| SpectraBase Spectrum ID |
6dJ96Cf7rwV |
| Name |
[5S,6R,8S]-8-[N-Benzyl-N-[(benzyloxy)carbonyl]amino]-5-(benzyloxy)-6-[(benzyloxy)carbonyl]oxy]-12-tridecene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
677.371638360 u |
| Formula |
C43H51NO6 |
| InChI |
InChI=1S/C43H51NO6/c1-3-5-11-28-39(44(31-35-20-12-7-13-21-35)42(45)48-33-37-24-16-9-17-25-37)30-41(50-43(46)49-34-38-26-18-10-19-27-38)40(29-6-4-2)47-32-36-22-14-8-15-23-36/h3,7-10,12-27,39-41H,1,4-6,11,28-34H2,2H3/t39-,40-,41+/m0/s1 |
| InChIKey |
COOWIMXVYSPKQC-YZBUDRBASA-N |
| Molecular Weight |
677.882 g/mol |
| SMILES |
C(N([C@](C[C@@](OC(=O)OCC1=CC=CC=C1)([C@@](OCC1=CC=CC=C1)(CCCC)[H])[H])(CCCC=C)[H])CC1=CC=CC=C1)(OCC1=CC=CC=C1)=O |
![[5S,6R,8S]-8-[N-Benzyl-N-[(benzyloxy)carbonyl]amino]-5-(benzyloxy)-6-[(benzyloxy)carbonyl]oxy]-12-tridecene](/api/spectrum/6dJ96Cf7rwV/structure.png?h=300&w=458 "[5S,6R,8S]-8-[N-Benzyl-N-[(benzyloxy)carbonyl]amino]-5-(benzyloxy)-6-[(benzyloxy)carbonyl]oxy]-12-tridecene")
