| SpectraBase Compound ID | Jy9fF7I0a4A |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-21-29(52)31(54)34(57)39(64-21)67-37-24(18-49)65-38(36(59)33(37)56)63-19-25-30(53)32(55)35(58)40(66-25)68-42(62)48-15-13-43(2,41(60)61)17-23(48)22-7-8-27-44(3)11-10-28(51)45(4,20-50)26(44)9-12-47(27,6)46(22,5)14-16-48/h7,21,23-40,49-59H,8-20H2,1-6H3,(H,60,61)/t21-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,43-,44+,45+,46-,47-,48+/m1/s1 |
| InChIKey | IDGBFYVSNABVRJ-FLHWDFIUSA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C48H76O20 |
| Exact Mass | 972.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1ydgj2EcyT |
|---|---|
| Name | SPINOSIDE-D3;#3;3-ALPHA,23-DIHYDROXY-23-OXO-OLEAN-12-ENE-28,29-DIOIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O20 |
| InChI | InChI=1S/C48H76O20/c1-21-29(52)31(54)34(57)39(64-21)67-37-24(18-49)65-38(36(59)33(37)56)63-19-25-30(53)32(55)35(58)40(66-25)68-42(62)48-15-13-43(2,41(60)61)17-23(48)22-7-8-27-44(3)11-10-28(51)45(4,20-50)26(44)9-12-47(27,6)46(22,5)14-16-48/h7,21,23-40,49-59H,8-20H2,1-6H3,(H,60,61)/t21-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,43-,44+,45+,46-,47-,48+/m1/s1 |
| InChIKey | IDGBFYVSNABVRJ-FLHWDFIUSA-N |
| Literature Reference Author | M.MIYAKOSHI,Y.IDA,S.ISODA,J.SHOJI |
| Literature Reference Citation | PHYTOCHEM.,33,891(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85298-6 |
| Molecular Weight | 973.119 g/mol |
| Solvent | C5D5N |