| SpectraBase Compound ID | 9PF0LLewaGj |
|---|---|
| InChI | InChI=1S/C36H54O12/c1-17-18-9-10-23-33(4)14-20(38)30(36(7,45)24(39)11-12-32(2,3)46-8)34(33,5)15-25(40)35(23,6)19(18)13-21(26(17)41)47-31-29(44)28(43)27(42)22(16-37)48-31/h11-13,20,22-24,27-31,37-39,41-45H,9-10,14-16H2,1-8H3/b12-11+/t20-,22+,23+,24?,27+,28-,29+,30+,31+,33+,34-,35+,36?/m1/s1 |
| InChIKey | FSGJPKCVUUKVDV-OLARQGPGSA-N |
| Mol Weight | 678.8 g/mol |
| Molecular Formula | C36H54O12 |
| Exact Mass | 678.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrBv6MG2TX1 |
|---|---|
| Name | ANDIROBICIN-A-GLUCOSIDE;29-NOR-1,2,3,4,5,10-DEHYDRO-25-METHOXY-2-O-BETA-D-GLUCOPYRANOSYL-3,16-ALPHA,20R,22-XI-TETRAHYDROXY-11-OXOCUCURBIT-23-ENE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O12 |
| InChI | InChI=1S/C36H54O12/c1-17-18-9-10-23-33(4)14-20(38)30(36(7,45)24(39)11-12-32(2,3)46-8)34(33,5)15-25(40)35(23,6)19(18)13-21(26(17)41)47-31-29(44)28(43)27(42)22(16-37)48-31/h11-13,20,22-24,27-31,37-39,41-45H,9-10,14-16H2,1-8H3/b12-11+/t20-,22+,23+,24?,27+,28-,29+,30+,31+,33+,34-,35+,36?/m1/s1 |
| InChIKey | FSGJPKCVUUKVDV-OLARQGPGSA-N |
| Literature Reference Author | L.M.M.VALENTE,A.A.L.GUNATILAKA,T.E.GLASS,D.G.I.KINGSTON,A.C. PINTO |
| Literature Reference Citation | J.NAT.PROD.,56,1772(1993) |
| Literature Reference DOI | 10.1021/np50100a017 |
| Molecular Weight | 678.818 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS15635 |