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Saxifragifolin-B
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

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