For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-O-(.alpha.-L-rhamnopyranosyl)-.beta.-[(S)-linalyl]-D-glucopyranoside-hexakis(trifluoroacetyl)
SpectraBase Compound ID 25OfXFacPzs
InChI InChI=1S/C34H32F18O16/c1-6-28(5,9-7-8-11(2)3)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)10-59-20-18(66-26(57)33(47,48)49)16(64-24(55)31(41,42)43)14(12(4)60-20)62-22(53)29(35,36)37/h6,8,12-21H,1,7,9-10H2,2-5H3/t12-,13+,14-,15-,16+,17+,18+,19+,20?,21+,28+/m0/s1
InChIKey GMMCRRIKSGFQIA-VTLAVASGSA-N
Mol Weight 1038.6 g/mol
Molecular Formula C34H32F18O16
Exact Mass 1038.140292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3wbirotBCdB
Name 6-O-(.alpha.-L-rhamnopyranosyl)-.beta.-[(S)-linalyl]-D-glucopyranoside-hexakis(trifluoroacetyl)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H32F18O16
InChI InChI=1S/C34H32F18O16/c1-6-28(5,9-7-8-11(2)3)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)10-59-20-18(66-26(57)33(47,48)49)16(64-24(55)31(41,42)43)14(12(4)60-20)62-22(53)29(35,36)37/h6,8,12-21H,1,7,9-10H2,2-5H3/t12-,13+,14-,15-,16+,17+,18+,19+,20?,21+,28+/m0/s1
InChIKey GMMCRRIKSGFQIA-VTLAVASGSA-N
Molecular Weight 1038.585 g/mol
SMILES [C@@]1([C@@]([C@@](OC(C(F)(F)F)=O)([C@](O[C@@]1(O[C@](C=C)(CCC=C(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 splash10-00lu-9100000000-3dad1a7e2af10d966598
Source of Spectrum JC-590-323-0
Synonyms (2R,3R,4R,5S,6R)-2-{[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy}-6-({[(3R,4R,5S,6S)-6-methyl-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]oxan-2-yl]oxy}methyl)-4,5-bis[(2,2,2-trifluoroacetyl)oxy]oxan-3-yl 2,2,2-trifluoroacetate
Wiley ID 1418484