| SpectraBase Compound ID | 7ZW8RM9EuFD |
|---|---|
| InChI | InChI=1S/C54H86O24/c1-23(58)72-33-16-49(4,21-57)14-30-53(33)22-71-54(30)13-9-29-50(5)11-10-32(48(2,3)28(50)8-12-51(29,6)52(54,7)15-31(53)60)76-46-42(78-45-41(68)38(65)35(62)25(17-55)73-45)37(64)27(20-70-46)75-47-43(39(66)36(63)26(18-56)74-47)77-44-40(67)34(61)24(59)19-69-44/h21,24-47,55-56,59-68H,8-20,22H2,1-7H3/t24?,25?,26?,27?,28?,29-,30+,31-,32?,33-,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,49+,50?,51+,52-,53-,54-/m1/s1 |
| InChIKey | WLDAXZQOUMCXOG-FIOXISCZSA-N |
| Mol Weight | 1119.3 g/mol |
| Molecular Formula | C54H86O24 |
| Exact Mass | 1118.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4nJQ4OImLyO |
|---|---|
| Name | Saxifragifolin-A |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C54H86O24 |
| InChI | InChI=1S/C54H86O24/c1-23(58)72-33-16-49(4,21-57)14-30-53(33)22-71-54(30)13-9-29-50(5)11-10-32(48(2,3)28(50)8-12-51(29,6)52(54,7)15-31(53)60)76-46-42(78-45-41(68)38(65)35(62)25(17-55)73-45)37(64)27(20-70-46)75-47-43(39(66)36(63)26(18-56)74-47)77-44-40(67)34(61)24(59)19-69-44/h21,24-47,55-56,59-68H,8-20,22H2,1-7H3/t24?,25?,26?,27?,28?,29-,30+,31-,32?,33-,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,49+,50?,51+,52-,53-,54-/m1/s1 |
| InChIKey | WLDAXZQOUMCXOG-FIOXISCZSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | J. Chem. Soc. Perkin I 1527 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |