| SpectraBase Compound ID | Jd0x3eq7Pe |
|---|---|
| InChI | InChI=1S/C51H80O23/c1-18-13-28(69-45(18)74-48-41(64)38(61)35(58)29(16-52)70-48)32(55)19(2)31-27(54)15-26-24-8-7-22-14-23(9-11-50(22,5)25(24)10-12-51(26,31)6)68-49-44(73-47-40(63)37(60)34(57)21(4)67-47)42(65)43(30(17-53)71-49)72-46-39(62)36(59)33(56)20(3)66-46/h7,18-21,23-26,28-31,33-49,52-53,56-65H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24?,25?,26?,28+,29+,30+,31?,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48-,49+,50-,51-/m0/s1 |
| InChIKey | UIARJAYMUVTPIU-BMZWSNQWSA-N |
| Mol Weight | 1061.2 g/mol |
| Molecular Formula | C51H80O23 |
| Exact Mass | 1060.509039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 974xEPKXfeI |
|---|---|
| Name | ANGUIVIOSIDE-XVI;3-O-BETA-CHACOTRIOSYL-(23S,25R,26S)-3-BETA,26-DIHYDROXYCHOLEST-5-EN-23,26-EPOXIDE-26-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O23 |
| InChI | InChI=1S/C51H80O23/c1-18-13-28(69-45(18)74-48-41(64)38(61)35(58)29(16-52)70-48)32(55)19(2)31-27(54)15-26-24-8-7-22-14-23(9-11-50(22,5)25(24)10-12-51(26,31)6)68-49-44(73-47-40(63)37(60)34(57)21(4)67-47)42(65)43(30(17-53)71-49)72-46-39(62)36(59)33(56)20(3)66-46/h7,18-21,23-26,28-31,33-49,52-53,56-65H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24?,25?,26?,28+,29+,30+,31?,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48-,49+,50-,51-/m0/s1 |
| InChIKey | UIARJAYMUVTPIU-BMZWSNQWSA-N |
| Literature Reference Author | T.HONBU,T.IKEDA,X.H.ZHU,O.YOSHIHARA,M.OKAWA,A.M.NAFADY,T.NOH ARA |
| Literature Reference Citation | J.NAT.PROD.,65,1918(2002) |
| Literature Reference DOI | 10.1021/np020254t |
| Molecular Weight | 1061.182 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI16591 |