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Tetra-O-acetyl-1-smilagenyl.alpha.-D-glucopyranoside
SpectraBase Compound ID 7acPYehAfEm
InChI InChI=1S/C41H62O12/c1-21-11-16-41(47-19-21)22(2)34-32(53-41)18-31-29-10-9-27-17-28(12-14-39(27,7)30(29)13-15-40(31,34)8)51-38-37(50-26(6)45)36(49-25(5)44)35(48-24(4)43)33(52-38)20-46-23(3)42/h21-22,27-38H,9-20H2,1-8H3/t21-,22?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41-/m1/s1
InChIKey HQTSFQOSFUBDPX-WBRXNOPTSA-N
Mol Weight 746.9 g/mol
Molecular Formula C41H62O12
Exact Mass 746.424127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6SFoO795ds
Name Tetra-O-acetyl-1-smilagenyl.beta.-D-glucopyranoside
CAS Registry Number 63119-25-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C41H62O12
InChI InChI=1S/C41H62O12/c1-21-11-16-41(47-19-21)22(2)34-32(53-41)18-31-29-10-9-27-17-28(12-14-39(27,7)30(29)13-15-40(31,34)8)51-38-37(50-26(6)45)36(49-25(5)44)35(48-24(4)43)33(52-38)20-46-23(3)42/h21-22,27-38H,9-20H2,1-8H3/t21-,22?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41-/m1/s1
InChIKey HQTSFQOSFUBDPX-WBRXNOPTSA-N
Instrument Name Varian NV-14
Literature Reference S. Seo, Y. Tomita, K. Tori, J. Am. Chem. Soc. 100, 3331 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3