| SpectraBase Compound ID | 9GVCi2R2qRJ |
|---|---|
| InChI | InChI=1S/C41H46O14/c1-8-21(2)41-53-33-39(47)32(52-31(45)23-12-10-9-11-13-23)34(4)20-37(39,46)36(6,25(34)16-28(43)48-7)38(54-41)18-27(50-22(3)42)35(5)26(40(33,38)55-41)17-29(44)51-30(35)24-14-15-49-19-24/h9-15,17,19,21,25,27,30,32-33,46-47H,8,16,18,20H2,1-7H3/t21?,25-,27-,30-,32-,33+,34-,35-,36-,37+,38-,39-,40+,41-/m0/s1 |
| InChIKey | GNWXDTTUAREYAS-DVJUQVBMSA-N |
| Mol Weight | 762.8 g/mol |
| Molecular Formula | C41H46O14 |
| Exact Mass | 762.288756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9YzgmHOa0Uk |
|---|---|
| Name | 3-BETA-O-DESTIGLOYL-3-BETA-O-BENZOYL-12-ALPHA-ACETOXYSWIETEPHRAGMIN_C |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H46O14 |
| InChI | InChI=1S/C41H46O14/c1-8-21(2)41-53-33-39(47)32(52-31(45)23-12-10-9-11-13-23)34(4)20-37(39,46)36(6,25(34)16-28(43)48-7)38(54-41)18-27(50-22(3)42)35(5)26(40(33,38)55-41)17-29(44)51-30(35)24-14-15-49-19-24/h9-15,17,19,21,25,27,30,32-33,46-47H,8,16,18,20H2,1-7H3/t21?,25-,27-,30-,32-,33+,34-,35-,36-,37+,38-,39-,40+,41-/m0/s1 |
| InChIKey | GNWXDTTUAREYAS-DVJUQVBMSA-N |
| Literature Reference Author | M.N.DASILVA,M.S.P.ARRUDA,K.C.F.CASTRO,M.F.D.G.F.DASILVA,J.B. FERNANDES,P.C.VIEIRA |
| Literature Reference Citation | J.NAT.PROD.,71,1983(2008) |
| Literature Reference DOI | 10.1021/np800312h |
| Molecular Weight | 762.808 g/mol |
| Sample ID | 29361 |
| Solvent | CDCl3 |