Clemoarmanoside A [Benzoic acid 4-[[6'-O-[4"-(.beta.D-allopyranosyloxy)-3"-methoxybenzoyl]-.beta.,D-glucopyranosyl]oxy]-3-methyoxyntramol-1,6"'-ester]

SpectraBase Compound ID	jhUHuUPjs
InChI	InChI=1S/C28H32O16/c1-37-15-7-11-3-5-13(15)41-27-23(33)21(31)19(29)17(43-27)10-40-26(36)12-4-6-14(16(8-12)38-2)42-28-24(34)22(32)20(30)18(44-28)9-39-25(11)35/h3-8,17-24,27-34H,9-10H2,1-2H3/t17-,18-,19-,20-,21-,22+,23-,24-,27-,28-/m1/s1
InChIKey	CVLKSGMETVVYCI-KEOMQFIYSA-N Google Search
Mol Weight	624.5 g/mol
Molecular Formula	C28H32O16
Exact Mass	624.169035 g/mol

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SpectraBase Spectrum ID	DJm40lGlDhg
Name	Clemoarmanoside A [Benzoic acid 4-[[6'-O-[4"-(.beta.D-allopyranosyloxy)-3"-methoxybenzoyl]-.beta.,D-glucopyranosyl]oxy]-3-methyoxyntramol-1,6"'-ester]
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H32O16
InChI	InChI=1S/C28H32O16/c1-37-15-7-11-3-5-13(15)41-27-23(33)21(31)19(29)17(43-27)10-40-26(36)12-4-6-14(16(8-12)38-2)42-28-24(34)22(32)20(30)18(44-28)9-39-25(11)35/h3-8,17-24,27-34H,9-10H2,1-2H3/t17-,18-,19-,20-,21-,22+,23-,24-,27-,28-/m1/s1
InChIKey	CVLKSGMETVVYCI-KEOMQFIYSA-N
Molecular Weight	624.548 g/mol
SMILES	O[C@@]1([C@]([C@@]2(Oc3ccc(C(OC[C@]4(O[C@]([C@@]([C@@]([C@@]4(O)[H])(O)[H])(O)[H])(Oc4c(cc(C(OC[C@]([C@]1(O)[H])(O2)[H])=O)cc4)OC)[H])[H])=O)cc3OC)[H])(O)[H])[H]
SPLASH	splash10-0udi-0901000000-edd87ba543d35fddcc7b
Source of Spectrum	H1-68-1923-1
Wiley ID	1593612