| SpectraBase Compound ID | IUpgiQSH7ck |
|---|---|
| InChI | InChI=1S/C50H84O26/c1-7-50(6,76-49-42(66)37(61)43(28(19-53)72-49)74-48-40(64)35(59)32(56)27(18-52)71-48)16-10-15-26(17-51)14-9-12-22(2)11-8-13-23(3)20-67-46-41(65)36(60)44(75-47-39(63)34(58)31(55)25(5)70-47)29(73-46)21-68-45-38(62)33(57)30(54)24(4)69-45/h7,12-13,15,24-25,27-49,51-66H,1,8-11,14,16-21H2,2-6H3/b22-12+,23-13+,26-15-/t24-,25-,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 | QFKLPFQSZQZZFP-FHTURWKNSA-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 | 4G6hOvwflCY |
|---|---|
| Name | #3;CAPSIANOSIDE-XV;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL-17,19-DIHYDROXY-6-E,10-E,14-Z-(3S)-GERANYLLINALOOL-17-ALPHA-L-RHAMNOPYRANOSYL-(1->4 |
| 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(6,76-49-42(66)37(61)43(28(19-53)72-49)74-48-40(64)35(59)32(56)27(18-52)71-48)16-10-15-26(17-51)14-9-12-22(2)11-8-13-23(3)20-67-46-41(65)36(60)44(75-47-39(63)34(58)31(55)25(5)70-47)29(73-46)21-68-45-38(62)33(57)30(54)24(4)69-45/h7,12-13,15,24-25,27-49,51-66H,1,8-11,14,16-21H2,2-6H3/b22-12+,23-13+,26-15-/t24-,25-,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 | QFKLPFQSZQZZFP-FHTURWKNSA-N |
| Literature Reference Author | J.H.LEE,N.KIYOTA,T.IKEDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1365(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1365 |
| Molecular Weight | 1101.201 g/mol |
| Sample ID | 37304 |
| Solvent | CD3OD |