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6-O-(.alpha.-L-rhamnopyranosyl)-.beta.-[(R,S)-.alpha.-terpinyl]-D-glucopyranoside-hexakis(trifluoroacetyl)
SpectraBase Compound ID Fyr8NdUup3W
InChI InChI=1S/C34H32F18O16/c1-10-5-7-12(8-6-10)28(3,4)68-21-19(67-27(58)34(50,51)52)17(65-25(56)32(44,45)46)15(63-23(54)30(38,39)40)13(61-21)9-59-20-18(66-26(57)33(47,48)49)16(64-24(55)31(41,42)43)14(11(2)60-20)62-22(53)29(35,36)37/h5,11-21H,6-9H2,1-4H3/t11-,12?,13+,14-,15-,16+,17+,18+,19+,20?,21+/m0/s1
InChIKey PHHGLMDXBUCCCT-KCVXJXNESA-N
Mol Weight 1038.6 g/mol
Molecular Formula C34H32F18O16
Exact Mass 1038.140292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Wn7k6zoQc3
Name 6-O-(.alpha.-L-rhamnopyranosyl)-.beta.-[(R,S)-.alpha.-terpinyl]-D-glucopyranoside-hexakis(trifluoroacetyl)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H32F18O16
InChI InChI=1S/C34H32F18O16/c1-10-5-7-12(8-6-10)28(3,4)68-21-19(67-27(58)34(50,51)52)17(65-25(56)32(44,45)46)15(63-23(54)30(38,39)40)13(61-21)9-59-20-18(66-26(57)33(47,48)49)16(64-24(55)31(41,42)43)14(11(2)60-20)62-22(53)29(35,36)37/h5,11-21H,6-9H2,1-4H3/t11-,12?,13+,14-,15-,16+,17+,18+,19+,20?,21+/m0/s1
InChIKey PHHGLMDXBUCCCT-KCVXJXNESA-N
Molecular Weight 1038.585 g/mol
SMILES [C@@]1([C@@]([C@@](OC(C(F)(F)F)=O)([C@](O[C@@]1(OC(C1CC=C(CC1)C)(C)C)[H])(COC1[C@@]([C@](OC(C(F)(F)F)=O)([C@]([C@@](O1)(C)[H])(OC(C(F)(F)F)=O)[H])[H])(OC(C(F)(F)F)=O)[H])[H])[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H]
SPLASH splash10-000i-5900000000-e07631430edba5222d92
Source of Spectrum JC-590-323-0
Synonyms (2R,3R,4R,5S,6R)-6-({[(3R,4R,5S,6S)-6-methyl-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]oxan-2-yl]oxy}methyl)-2-{[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}-4,5-bis[(2,2,2-trifluoroacetyl)oxy]oxan-3-yl 2,2,2-trifluoroacetate
Wiley ID 1418488