| SpectraBase Compound ID | 7YLt4zf5BV3 |
|---|---|
| InChI | InChI=1S/C41H60O16/c1-17(2)8-11-26(44)41(7,53)35-21(43)13-38(4)25-10-9-19-18(3)28(46)22(12-20(19)40(25,6)27(45)14-39(35,38)5)55-37-34(52)32(50)30(48)24(57-37)16-54-36-33(51)31(49)29(47)23(15-42)56-36/h8,11-12,21,23-26,29-37,42-44,46-53H,1,9-10,13-16H2,2-7H3/b11-8+/t21-,23+,24+,25+,26+,29+,30+,31-,32-,33+,34+,35+,36+,37+,38+,39-,40+,41+/m1/s1 |
| InChIKey | SWWPFGIEOHKMJC-OEMXDUHGSA-N |
| Mol Weight | 808.9 g/mol |
| Molecular Formula | C41H60O16 |
| Exact Mass | 808.388136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZRYJ1Fu7OK |
|---|---|
| Name | ANDIROBICIN-C-GENTOBIOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H60O16 |
| InChI | InChI=1S/C41H60O16/c1-17(2)8-11-26(44)41(7,53)35-21(43)13-38(4)25-10-9-19-18(3)28(46)22(12-20(19)40(25,6)27(45)14-39(35,38)5)55-37-34(52)32(50)30(48)24(57-37)16-54-36-33(51)31(49)29(47)23(15-42)56-36/h8,11-12,21,23-26,29-37,42-44,46-53H,1,9-10,13-16H2,2-7H3/b11-8+/t21-,23+,24+,25+,26+,29+,30+,31-,32-,33+,34+,35+,36+,37+,38+,39-,40+,41+/m1/s1 |
| InChIKey | SWWPFGIEOHKMJC-OEMXDUHGSA-N |
| Literature Reference Author | L.M.M.VALENTE,A.A.L.GUNATILAKA,D.G.I.KINGSTON,A.C.PINTO |
| Literature Reference Citation | J.NAT.PROD.,57,1560(1994) |
| Literature Reference DOI | 10.1021/np50113a015 |
| Molecular Weight | 808.918 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP3239 |