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Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-1-[(2,3,4,6-tetra-O-acetyl -.beta.-D-glucopyranosyl)oxy]-, methyl ester, [1S-(1.alpha.,4a.alpha.,7.alpha.,7a.alpha.)]-
SpectraBase Compound ID 2xJ5eHdVe6f
InChI InChI=1S/C25H34O14/c1-11(26)33-10-17-19(35-12(2)27)20(36-13(3)28)21(37-14(4)29)24(38-17)39-23-18-15(7-8-25(18,5)31)16(9-34-23)22(30)32-6/h9,15,17-21,23-24,31H,7-8,10H2,1-6H3/t15-,17+,18-,19+,20-,21+,23+,24-,25-/m0/s1
InChIKey MNSPJRYMYKBMGX-LRNCDSOTSA-N
Mol Weight 558.5 g/mol
Molecular Formula C25H34O14
Exact Mass 558.194856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lcg3OOBjuBX
Name Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-1-[(2,3,4,6-tetra-O-acetyl -.beta.-D-glucopyranosyl)oxy]-, methyl ester, [1S-(1.alpha.,4a.alpha.,7.alpha.,7a.alpha.)]-
CAS Registry Number 58514-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O14
InChI InChI=1S/C25H34O14/c1-11(26)33-10-17-19(35-12(2)27)20(36-13(3)28)21(37-14(4)29)24(38-17)39-23-18-15(7-8-25(18,5)31)16(9-34-23)22(30)32-6/h9,15,17-21,23-24,31H,7-8,10H2,1-6H3/t15-,17+,18-,19+,20-,21+,23+,24-,25-/m0/s1
InChIKey MNSPJRYMYKBMGX-LRNCDSOTSA-N
Molecular Weight 558.533 g/mol
SMILES O[C@@]1([C@]2([C@](C(=CO[C@@]2(O[C@]2([C@@]([C@@](OC(=O)C)([C@@]([C@](O2)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])[H])C(=O)OC)(CC1)[H])[H])C
SPLASH splash10-069u-2912000000-51365137b9a6eb70df76
Source of Spectrum H-64-21-0
Synonyms Methyl (1R,4aR,7S,7aR)-7-hydroxy-7-methyl-1-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Mussaenoside tetraacetate
Wiley ID 1406540