| SpectraBase Compound ID | B2wAeNZgiE9 |
|---|---|
| InChI | InChI=1S/C41H46O14/c1-8-21(2)41-53-33-39(47)32(52-30(44)23-12-10-9-11-13-23)35(5)20-37(39,46)36(6,28(35)27(31(45)48-7)50-22(3)42)38(54-41)16-15-34(4)25(40(33,38)55-41)18-26(43)51-29(34)24-14-17-49-19-24/h9-14,17-19,21,27-29,32-33,46-47H,8,15-16,20H2,1-7H3/t21?,27-,28-,29-,32-,33+,34+,35-,36-,37+,38-,39-,40+,41-/m0/s1 |
| InChIKey | RYKNDFQXVHJVGZ-AAHAQVERSA-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 | lb6ZJm0Q0C |
|---|---|
| Name | 3-BETA-O-DESTGLOYL-3-BETA-O-BENZOYL-6-O-ACETYLSWIETEPHRAGMIN_E |
| Compound Number | 2 |
| 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(52-30(44)23-12-10-9-11-13-23)35(5)20-37(39,46)36(6,28(35)27(31(45)48-7)50-22(3)42)38(54-41)16-15-34(4)25(40(33,38)55-41)18-26(43)51-29(34)24-14-17-49-19-24/h9-14,17-19,21,27-29,32-33,46-47H,8,15-16,20H2,1-7H3/t21?,27-,28-,29-,32-,33+,34+,35-,36-,37+,38-,39-,40+,41-/m0/s1 |
| InChIKey | RYKNDFQXVHJVGZ-AAHAQVERSA-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 | 29360 |
| Solvent | CDCl3 |