| SpectraBase Compound ID | J5iSMbGtitl |
|---|---|
| InChI | InChI=1S/C47H53NO13/c49-37-22-23-38(50)59-44-43(55-28-33-18-9-3-10-19-33)40(54-27-32-16-7-2-8-17-32)35(29-52-26-31-14-5-1-6-15-31)58-47(44)61-42-39(51)46(53-25-13-24-48-37)57-36-30-56-45(60-41(36)42)34-20-11-4-12-21-34/h1-12,14-21,35-36,39-47,51H,13,22-30H2,(H,48,49)/t35-,36-,39-,40+,41-,42-,43+,44-,45-,46-,47+/m0/s1 |
| InChIKey | BPGHNMBLMHEEGM-MZMOCQJXSA-N |
| Mol Weight | 839.9 g/mol |
| Molecular Formula | C47H53NO13 |
| Exact Mass | 839.351691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFPQ6w1rg93 |
|---|---|
| Name | 3-AMINOPROPYL-3,4,5-TRI-O-BENZYL-2-O-(3-CARBOXYPROPIONYL)-BETA-D-GALACTOPYRANOSYL-(1->3)-4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOSIDE-KSI-LACTAM |
| Compound Number | 6C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H53NO13 |
| InChI | InChI=1S/C47H53NO13/c49-37-22-23-38(50)59-44-43(55-28-33-18-9-3-10-19-33)40(54-27-32-16-7-2-8-17-32)35(29-52-26-31-14-5-1-6-15-31)58-47(44)61-42-39(51)46(53-25-13-24-48-37)57-36-30-56-45(60-41(36)42)34-20-11-4-12-21-34/h1-12,14-21,35-36,39-47,51H,13,22-30H2,(H,48,49)/t35-,36-,39-,40+,41-,42-,43+,44-,45-,46-,47+/m0/s1 |
| InChIKey | BPGHNMBLMHEEGM-MZMOCQJXSA-N |
| Literature Reference Author | P.CLAUDE,C.LEHMANN,T.ZIEGLER |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,7,1609(2011) |
| Literature Reference DOI | 10.3762/bjoc.7.189 |
| Molecular Weight | 839.937 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9877 |