| SpectraBase Compound ID | 7O8WRoxCGT1 |
|---|---|
| InChI | InChI=1S/C39H58O10/c1-20(2)22(5)10-12-27(36(46)49-37-35(45)34(44)33(43)31(19-40)48-37)32-30(47-24(7)41)18-39(9)28-14-11-23(6)25(13-15-29(42)21(3)4)26(28)16-17-38(32,39)8/h11,14,20-21,27,30-35,37,40,43-45H,5,10,12-13,15-19H2,1-4,6-9H3/t27-,30+,31+,32-,33+,34-,35+,37-,38+,39-/m0/s1 |
| InChIKey | MKWNSTIPANKIBC-YABBKTIASA-N |
| Mol Weight | 686.9 g/mol |
| Molecular Formula | C39H58O10 |
| Exact Mass | 686.402998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPxV1vs9yhP |
|---|---|
| Name | DAEDALEASIDE_A;16-ALPHA-ACETOXY-24-METHYLENE-3-OXO-19-(10->5)-ABEO-4,5-SECOLANOSTA-5,7,9-TRIEN-21-OIC_ACID_21-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H58O10 |
| InChI | InChI=1S/C39H58O10/c1-20(2)22(5)10-12-27(36(46)49-37-35(45)34(44)33(43)31(19-40)48-37)32-30(47-24(7)41)18-39(9)28-14-11-23(6)25(13-15-29(42)21(3)4)26(28)16-17-38(32,39)8/h11,14,20-21,27,30-35,37,40,43-45H,5,10,12-13,15-19H2,1-4,6-9H3/t27-,30+,31+,32-,33+,34-,35+,37-,38+,39-/m0/s1 |
| InChIKey | MKWNSTIPANKIBC-YABBKTIASA-N |
| Literature Reference Author | K.YOSHIKAWA,K.KOUSO,J.TAKAHASHI,A.MATSUDA,M.OKAZOE,A.UMEYAMA ,S.ARIHARA |
| Literature Reference Citation | J.NAT.PROD.,68,911(2005) |
| Literature Reference DOI | 10.1021/np058024c |
| Molecular Weight | 686.884 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ11616 |