| SpectraBase Compound ID | 7OnS8PvUk8M |
|---|---|
| InChI | InChI=1S/C47H76O19/c1-42(2)11-13-47(41(60)66-40-36(59)33(56)31(54)26(64-40)19-62-38-35(58)32(55)30(53)25(17-48)63-38)14-12-45(5)21(22(47)15-42)7-8-28-43(3)16-23(50)37(65-39-34(57)29(52)24(51)18-61-39)44(4,20-49)27(43)9-10-46(28,45)6/h7,22-40,48-59H,8-20H2,1-6H3/t22?,23-,24+,25+,26+,27?,28?,29-,30+,31+,32-,33-,34+,35+,36+,37-,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
| InChIKey | AYFNIKFHIPWRJL-MKHXGJSZSA-N |
| Mol Weight | 945.1 g/mol |
| Molecular Formula | C47H76O19 |
| Exact Mass | 944.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4yAQS0ZaRzy |
|---|---|
| Name | BELLIDIASTROSIDE-U(D2);3-O-BETA-D-XYLOPYRANOSYL-2-BETA,3-BETA,23-TRIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL(1->6)-BETA-D-G |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O19 |
| InChI | InChI=1S/C47H76O19/c1-42(2)11-13-47(41(60)66-40-36(59)33(56)31(54)26(64-40)19-62-38-35(58)32(55)30(53)25(17-48)63-38)14-12-45(5)21(22(47)15-42)7-8-28-43(3)16-23(50)37(65-39-34(57)29(52)24(51)18-61-39)44(4,20-49)27(43)9-10-46(28,45)6/h7,22-40,48-59H,8-20H2,1-6H3/t22?,23-,24+,25+,26+,27?,28?,29-,30+,31+,32-,33-,34+,35+,36+,37-,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
| InChIKey | AYFNIKFHIPWRJL-MKHXGJSZSA-N |
| Literature Reference Author | T.SCHOEPKE,C.AL-TAWAHA,V.WRAY,M.NIMTZ,K.HILLER |
| Literature Reference Citation | PHYTOCHEM.,45,125(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00776-5 |
| Molecular Weight | 945.109 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP1229 |