| SpectraBase Compound ID | 1Sqje0myVlq |
|---|---|
| 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+/m0/s1 |
| InChIKey | JXTOWLUQSHIIDP-VHTLFSSQSA-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 | CNKVpBBs4Aj |
|---|---|
| Name | Saxifragifolin-B |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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+/m0/s1 |
| InChIKey | JXTOWLUQSHIIDP-VHTLFSSQSA-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 |