| SpectraBase Compound ID | GkRgNBLseal |
|---|---|
| InChI | InChI=1S/C63H106O35/c1-21(20-86-55-46(80)42(76)37(71)30(14-64)88-55)7-10-63(85)22(2)36-29(98-63)12-26-24-6-5-23-11-28(27(70)13-62(23,4)25(24)8-9-61(26,36)3)87-56-49(83)45(79)51(35(19-69)93-56)94-60-54(53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58)97-59-50(84)52(40(74)33(17-67)91-59)95-57-47(81)43(77)38(72)31(15-65)89-57/h21-60,64-85H,5-20H2,1-4H3/t21-,22+,23+,24-,25+,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-,51-,52+,53+,54-,55+,56+,57+,58-,59+,60+,61+,62+,63-/m1/s1 |
| InChIKey | MFHFOWCCIUBMFM-NOQVNCNPSA-N |
| Mol Weight | 1423.5 g/mol |
| Molecular Formula | C63H106O35 |
| Exact Mass | 1422.651465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gt9Ou4yvgCG |
|---|---|
| Name | CAPSICOSIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H106O35 |
| InChI | InChI=1S/C63H106O35/c1-21(20-86-55-46(80)42(76)37(71)30(14-64)88-55)7-10-63(85)22(2)36-29(98-63)12-26-24-6-5-23-11-28(27(70)13-62(23,4)25(24)8-9-61(26,36)3)87-56-49(83)45(79)51(35(19-69)93-56)94-60-54(53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58)97-59-50(84)52(40(74)33(17-67)91-59)95-57-47(81)43(77)38(72)31(15-65)89-57/h21-60,64-85H,5-20H2,1-4H3/t21-,22+,23+,24-,25+,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-,51-,52+,53+,54-,55+,56+,57+,58-,59+,60+,61+,62+,63-/m1/s1 |
| InChIKey | MFHFOWCCIUBMFM-NOQVNCNPSA-N |
| Literature Reference Author | S.YAHARA,T.URA,C.SAKAMOTO,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,37,831(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90366-2 |
| Molecular Weight | 1423.514 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU23509 |