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Cyclopenta[c]pyran-4-carboxylic acid, 7-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-1-[(2,3,4,6-tetra-O-ac etyl-.beta.-D-glucopyranosyl)oxy]-, methyl ester, [1S-(1.alpha.,4a.alpha.,7.beta.,7a.alpha.)]-
SpectraBase Compound ID KoQ20ko4q5c
InChI InChI=1S/C27H36O15/c1-12(28)35-11-19-21(37-13(2)29)22(38-14(3)30)23(39-15(4)31)26(40-19)41-25-20-17(18(10-36-25)24(33)34-7)8-9-27(20,6)42-16(5)32/h10,17,19-23,25-26H,8-9,11H2,1-7H3/t17-,19+,20-,21+,22-,23+,25+,26-,27+/m0/s1
InChIKey ZGCHSPYHRKUZLB-PHTHMOGOSA-N
Mol Weight 600.6 g/mol
Molecular Formula C27H36O15
Exact Mass 600.20542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50EdB9VBtkV
Name Cyclopenta[c]pyran-4-carboxylic acid, 7-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-1-[(2,3,4,6-tetra-O-ac etyl-.beta.-D-glucopyranosyl)oxy]-, methyl ester, [1S-(1.alpha.,4a.alpha.,7.beta.,7a.alpha.)]-
CAS Registry Number 77027-83-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O15
InChI InChI=1S/C27H36O15/c1-12(28)35-11-19-21(37-13(2)29)22(38-14(3)30)23(39-15(4)31)26(40-19)41-25-20-17(18(10-36-25)24(33)34-7)8-9-27(20,6)42-16(5)32/h10,17,19-23,25-26H,8-9,11H2,1-7H3/t17-,19+,20-,21+,22-,23+,25+,26-,27+/m0/s1
InChIKey ZGCHSPYHRKUZLB-PHTHMOGOSA-N
Molecular Weight 600.570 g/mol
SMILES C=1([C@]2([C@@]([C@@](OC(=O)C)(C)CC2)([H])[C@](OC1)(O[C@]1([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])[H])[H])C(=O)OC
SPLASH splash10-05mo-6901000000-a087994902f9b6187335
Source of Spectrum H-64-21-0
Synonyms Methyl (1R,4aR,7R,7aR)-7-(acetyloxy)-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 pentaacetate
Wiley ID 1410101