| SpectraBase Spectrum ID |
Cj2AU3si17C |
| Name |
[6S,8R,9S]-6-[N-Benzyl-N-[(benzyloxy)carbonyl]amino]-9-(benzyloxy)-8-[(benzyloxy)carbonyl]oxy]tridecan-2-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
693.366552979 u |
| Formula |
C43H51NO7 |
| InChI |
InChI=1S/C43H51NO7/c1-3-4-28-40(48-31-36-21-11-6-12-22-36)41(51-43(47)50-33-38-25-15-8-16-26-38)29-39(27-17-18-34(2)45)44(30-35-19-9-5-10-20-35)42(46)49-32-37-23-13-7-14-24-37/h5-16,19-26,39-41H,3-4,17-18,27-33H2,1-2H3/t39-,40-,41+/m0/s1 |
| InChIKey |
WHPHUMFJGWOOFC-YZBUDRBASA-N |
| SMILES |
C(N([C@](C[C@@](OC(=O)OCC1=CC=CC=C1)([C@@](OCC1=CC=CC=C1)(CCCC)[H])[H])(CCCC(=O)C)[H])CC1=CC=CC=C1)(OCC1=CC=CC=C1)=O |
![[6S,8R,9S]-6-[N-Benzyl-N-[(benzyloxy)carbonyl]amino]-9-(benzyloxy)-8-[(benzyloxy)carbonyl]oxy]tridecan-2-one](/api/spectrum/Cj2AU3si17C/structure.png?h=300&w=458 "[6S,8R,9S]-6-[N-Benzyl-N-[(benzyloxy)carbonyl]amino]-9-(benzyloxy)-8-[(benzyloxy)carbonyl]oxy]tridecan-2-one")
