| SpectraBase Compound ID | 6zx6a8v0zje |
|---|---|
| InChI | InChI=1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3/t23-,24-,25-,26+,27?,28?,29?,30-,31?,32+,33-,34-,35+,36+,37+,38-,39-,40-,41?,42+,43+,44+,45+,47+,48+,49-,50+,51-,52+/m1/s1 |
| InChIKey | JXTOWLUQSHIIDP-RTWJTTRGSA-N |
| Mol Weight | 1061.2 g/mol |
| Molecular Formula | C52H84O22 |
| Exact Mass | 1060.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1eP2YRkQRgV |
|---|---|
| Name | SAXIFRAGIFOLIN-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O22 |
| InChI | InChI=1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3/t23-,24-,25-,26+,27?,28?,29?,30-,31?,32+,33-,34-,35+,36+,37+,38-,39-,40-,41?,42+,43+,44+,45+,47+,48+,49-,50+,51-,52+/m1/s1 |
| InChIKey | JXTOWLUQSHIIDP-RTWJTTRGSA-N |
| Literature Reference Author | J.P.WALTHO,D.H.WILLIAMS,S.B.MAHATO,B.C.PAL,J.C.J.BARNA |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1527(1986) |
| Literature Reference DOI | 10.1039/p19860001527 |
| Molecular Weight | 1061.226 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK618 |