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.beta.-D-Glucopyranoside, 7-[(acetyloxy)methyl]-1,4a,5,7a-tetrahydro-5-[(2,3,4-tri-O-acetyl-6-d eoxy-.alpha.-L-mannopyranosyl)oxy]cyclopenta[c]pyran-1-yl, tetraacetate, [1S-(1.alpha.,4a.alpha.,5.alpha.,7a.alpha.)]-
SpectraBase Compound ID BJkAaQgqAn
InChI InChI=1S/C37H48O21/c1-15-29(50-18(4)40)31(52-20(6)42)33(54-22(8)44)36(49-15)56-26-12-24(13-47-16(2)38)28-25(26)10-11-46-35(28)58-37-34(55-23(9)45)32(53-21(7)43)30(51-19(5)41)27(57-37)14-48-17(3)39/h10-12,15,25-37H,13-14H2,1-9H3
InChIKey IITUVKBNLMJEDB-UHFFFAOYSA-N
Mol Weight 828.8 g/mol
Molecular Formula C37H48O21
Exact Mass 828.268809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRbfP0NZ5tq
Name .beta.-D-Glucopyranoside, 7-[(acetyloxy)methyl]-1,4a,5,7a-tetrahydro-5-[(2,3,4-tri-O-acetyl-6-d eoxy-.alpha.-L-mannopyranosyl)oxy]cyclopenta[c]pyran-1-yl, tetraacetate, [1S-(1.alpha.,4a.alpha.,5.alpha.,7a.alpha.)]-
Alternate Name(s) (1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-5-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl)methyl acetate Cyclopenta[c]pyran, .beta.-D-glucopyranoside deriv. Octaacetylsinuatol Sinuatol octaacetate
CAS Registry Number 78077-29-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H48O21
InChI InChI=1S/C37H48O21/c1-15-29(50-18(4)40)31(52-20(6)42)33(54-22(8)44)36(49-15)56-26-12-24(13-47-16(2)38)28-25(26)10-11-46-35(28)58-37-34(55-23(9)45)32(53-21(7)43)30(51-19(5)41)27(57-37)14-48-17(3)39/h10-12,15,25-37H,13-14H2,1-9H3
InChIKey IITUVKBNLMJEDB-UHFFFAOYSA-N
Molecular Weight 828.770 g/mol
SMILES C1(C(C(OC(=O)C)C(OC1OC1C2C(=CC(C2C=CO1)OC1C(C(OC(=O)C)C(C(O1)C)OC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
SPLASH splash10-00kf-6911000000-a2c4906fd09f3140e918
Source of Spectrum H-65-1684-0
Wiley ID 1417508