| SpectraBase Compound ID | 9C92yikdr5H |
|---|---|
| InChI | InChI=1S/C50H84O26/c1-7-50(6,76-49-44(38(62)33(57)28(19-53)72-49)75-47-42(66)37(61)32(56)27(18-52)71-47)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(74-46-41(65)36(60)31(55)26(17-51)70-46)39(63)34(58)29(73-48)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3/b22-11+,23-15+,24-14+/t25-,26-,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37-,38-,39+,40+,41-,42+,43-,44+,45+,46+,47-,48-,49-,50-/m1/s1 |
| InChIKey | JHLMLCRVDVBIAC-YMROBYOVSA-N |
| Mol Weight | 1101.2 g/mol |
| Molecular Formula | C50H84O26 |
| Exact Mass | 1100.525083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KwDODikYzzq |
|---|---|
| Name | #1;CAPSIANOSIDE-III;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-17-HYDROXY-6E,10E,14Z-(3S)-GERANYLLINALOOL-17-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H84O26 |
| InChI | InChI=1S/C50H84O26/c1-7-50(6,76-49-44(38(62)33(57)28(19-53)72-49)75-47-42(66)37(61)32(56)27(18-52)71-47)16-10-15-23(3)12-8-11-22(2)13-9-14-24(4)20-67-48-43(74-46-41(65)36(60)31(55)26(17-51)70-46)39(63)34(58)29(73-48)21-68-45-40(64)35(59)30(54)25(5)69-45/h7,11,14-15,25-49,51-66H,1,8-10,12-13,16-21H2,2-6H3/b22-11+,23-15+,24-14+/t25-,26-,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37-,38-,39+,40+,41-,42+,43-,44+,45+,46+,47-,48-,49-,50-/m1/s1 |
| InChIKey | JHLMLCRVDVBIAC-YMROBYOVSA-N |
| Literature Reference Author | J.H.LEE,N.KIYOTA,T.IKEDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,1151(2007) |
| Literature Reference DOI | 10.1248/cpb.55.1151 |
| Molecular Weight | 1101.201 g/mol |
| Sample ID | 56104 |
| Solvent | CD3OD |