| SpectraBase Compound ID | 3E99XoJ7C8x |
|---|---|
| InChI | InChI=1S/C36H52O10/c1-17(2)11-18-13-35(7,43)29-22(44-18)14-33(5)24-10-9-19-20(36(24,8)25(38)15-34(29,33)6)12-21(30(42)32(19,3)4)45-31-28(41)27(40)26(39)23(16-37)46-31/h9,11-12,18,20,22-24,26-29,31,37,39-41,43H,10,13-16H2,1-8H3/t18-,20+,22+,23-,24-,26-,27+,28-,29-,31-,33-,34+,35-,36-/m0/s1 |
| InChIKey | MJHZIBPAZLJXHU-QVQSZDRGSA-N |
| Mol Weight | 644.8 g/mol |
| Molecular Formula | C36H52O10 |
| Exact Mass | 644.356048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9G8mPbd82m6 |
|---|---|
| Name | AOIBACLYIN;16-ALPHA,23-ALPHA-EPOXY-2,20-BETA-DIHYDROXY-CUCURBITA-1,5,24-TRIENE-2-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O10 |
| InChI | InChI=1S/C36H52O10/c1-17(2)11-18-13-35(7,43)29-22(44-18)14-33(5)24-10-9-19-20(36(24,8)25(38)15-34(29,33)6)12-21(30(42)32(19,3)4)45-31-28(41)27(40)26(39)23(16-37)46-31/h9,11-12,18,20,22-24,26-29,31,37,39-41,43H,10,13-16H2,1-8H3/t18-,20+,22+,23-,24-,26-,27+,28-,29-,31-,33-,34+,35-,36-/m0/s1 |
| InChIKey | MJHZIBPAZLJXHU-QVQSZDRGSA-N |
| Literature Reference Author | T.SEKIME,H.KURIHARA,M.WAKU,F.IKEGAMI,N.RUANGRUNGSI |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,645(2002) |
| Literature Reference DOI | 10.1248/cpb.50.645 |
| Molecular Weight | 644.803 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN8155 |