| SpectraBase Compound ID | D9TsMsXFo1r |
|---|---|
| InChI | InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-34(5)18(19(36)15-31)7-8-22-32(3)16-20(38)27(33(4,17-37)21(32)9-10-35(22,34)6)47-29-25(41)23(39)24(40)26(46-29)28(42)43/h7,19-27,29,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20-,21+,22+,23-,24-,25+,26-,27-,29-,32-,33+,34+,35+,36-/m0/s1 |
| InChIKey | ONQHDYRCCNFVTD-SAJDATKRSA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C36H56O11 |
| Exact Mass | 664.382263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AfHw3ym8vFi |
|---|---|
| Name | CARYOCAROSIDE_III-5;3-O-BETA-D-GLUCURONOPYRANOSYLBAYOGENIN |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O11 |
| InChI | InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-34(5)18(19(36)15-31)7-8-22-32(3)16-20(38)27(33(4,17-37)21(32)9-10-35(22,34)6)47-29-25(41)23(39)24(40)26(46-29)28(42)43/h7,19-27,29,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20-,21+,22+,23-,24-,25+,26-,27-,29-,32-,33+,34+,35+,36-/m0/s1 |
| InChIKey | ONQHDYRCCNFVTD-SAJDATKRSA-N |
| Literature Reference Author | A.A.MAGID,L.VOUTQUENNE,C.MORETTI,C.LONG,C.LAVAUD |
| Literature Reference Citation | J.NAT.PROD.,69,196(2006) |
| Literature Reference DOI | 10.1021/np050336s |
| Molecular Weight | 664.834 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18501 |