| SpectraBase Compound ID | A90SbzgyQoQ |
|---|---|
| InChI | InChI=1S/C35H50O11/c1-16(2)8-11-24(38)35(7,44)30-20(37)13-32(4)23-10-9-18-17(3)26(40)21(12-19(18)34(23,6)25(39)14-33(30,32)5)45-31-29(43)28(42)27(41)22(15-36)46-31/h8,11-12,20,22-24,27-31,36-38,40-44H,1,9-10,13-15H2,2-7H3/b11-8+/t20-,22+,23+,24?,27+,28-,29+,30+,31+,32+,33-,34+,35?/m1/s1 |
| InChIKey | LGFDUXHZEFIFMU-QREJXQJZSA-N |
| Mol Weight | 646.8 g/mol |
| Molecular Formula | C35H50O11 |
| Exact Mass | 646.335312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25CkGSRS9y0 |
|---|---|
| Name | CAYAPONOSIDE-B;29-NOR-1,2,3,4,5,10-DEHYDRO-2-O-BETA-D-GLUCOPYRANOSYL-3,16-ALPHA,20R,22-XI-TETRAHYDROXY-11-OXOCUCURBIT-23,25-DIENE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H50O11 |
| InChI | InChI=1S/C35H50O11/c1-16(2)8-11-24(38)35(7,44)30-20(37)13-32(4)23-10-9-18-17(3)26(40)21(12-19(18)34(23,6)25(39)14-33(30,32)5)45-31-29(43)28(42)27(41)22(15-36)46-31/h8,11-12,20,22-24,27-31,36-38,40-44H,1,9-10,13-15H2,2-7H3/b11-8+/t20-,22+,23+,24?,27+,28-,29+,30+,31+,32+,33-,34+,35?/m1/s1 |
| InChIKey | LGFDUXHZEFIFMU-QREJXQJZSA-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 | 646.775 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS15637 |