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(2S,3R,4R,5R,6S)-2-[[(1R,3aR,5S,8aR)-5-[2-[(3R,5aR,6R,7S)-2,2,5a,7-tetramethyl-3,7-bis(oxidanyl)-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-1-yl]oxy]-6-methyl-oxane-3,4,5-triol

Compound with spectra: 1 FTIR, and 1 MS (GC)

(2S,3R,4R,5R,6S)-2-[[(1R,3aR,5S,8aR)-5-[2-[(3R,5aR,6R,7S)-2,2,5a,7-tetramethyl-3,7-bis(oxidanyl)-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-1-yl]oxy]-6-methyl-oxane-3,4,5-triol
SpectraBase Compound ID 3NCrKapi490
InChI InChI=1S/C36H62O8/c1-20-10-11-24-23(14-19-36(24,9)44-31-30(40)29(39)28(38)21(2)42-31)32(3,4)22(20)12-13-25-34(7)17-15-26(37)33(5,6)43-27(34)16-18-35(25,8)41/h10,21-31,37-41H,11-19H2,1-9H3/t21-,22-,23+,24+,25+,26+,27?,28-,29+,30+,31-,34+,35-,36+/m0/s1
InChIKey YDXLHORABGUKRX-UUVNUXJASA-N
Mol Weight 622.9 g/mol
Molecular Formula C36H62O8
Exact Mass 622.444469 g/mol
Enantiomer InChIKey YDXLHORABGUKRX-AOTGLUHGSA-N

View Spectrum of (2S,3R,4R,5R,6S)-2-[[(1R,3aR,5S,8aR)-5-[2-[(3R,5aR,6R,7S)-2,2,5a,7-tetramethyl-3,7-bis(oxidanyl)-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-1-yl]oxy]-6-methyl-oxane-3,4,5-triol

Vapor Phase IR Spectrum
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View Spectrum of (2S,3R,4R,5R,6S)-2-[[(1R,3aR,5S,8aR)-5-[2-[(3R,5aR,6R,7S)-2,2,5a,7-tetramethyl-3,7-bis(oxidanyl)-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-1-yl]oxy]-6-methyl-oxane-3,4,5-triol

MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum G4-64-179-8
  • (2S,3R,4R,5R,6S)-2-[[(1R,3aR,5S,8aR)-5-[2-[(3R,5aR,6R,7S)-3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-1-yl]oxy]-6-methyloxane-3,4,5-triol
  • (2S,3R,4R,5R,6S)-2-[[(1R,3aR,5S,8aR)-5-[2-[(3R,5aR,6R,7S)-3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-1-yl]oxy]-6-methyl-tetrahydropyran-3,4,5-triol
SIPHOLENOSIDE-B
SIPHOLENONE_M
IXERISOSIDE-K
QUERCETIN-3,7-DIMETHYLETHER-3'-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
4H-Pyran-3-carboxylic acid, 5-[[6-(acetyloxy)decahydro-5-(3-hydroxy-3-methylbutyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]methyl]-6-methoxy-2-methyl-4-oxo-, methyl ester, (1.alpha.,4a.alpha.,5.alpha.,6.alpha.,8a.beta.)-
PTILOSAPONOSIDE_B
10b-n-Butyl-1,1-dimethyl-8,9-dimethoxy-1,5,6,10b-tetrahydrooxazolo[4,3-a]isoquinolin-3(2H)-one
SIPHOLENOL-G
Tetracyclo(6.2.1.1/4,7/.0/3,8/)dodec-2-ene-exo-9,10-dicarboxylic anhydride
3-BETA-O-GLUCOPYRANOSYL-ERGOSTA-5,7,22-TRIENE
ERGOSTERYL-3-O-BETA-D-GLUCOPYRANOSIDE
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