| SpectraBase Compound ID | 5KzOGAjisQu |
|---|---|
| InChI | InChI=1S/C52H84O19/c1-10-24(2)43(64)68-23-52-26(17-47(3,4)18-32(52)54)25-11-12-31-49(7)15-14-34(48(5,6)30(49)13-16-50(31,8)51(25,9)19-33(52)55)71-46-42(63)39(60)37(58)29(70-46)22-67-45-41(62)38(59)36(57)28(69-45)21-66-44-40(61)35(56)27(53)20-65-44/h10-11,26-42,44-46,53-63H,12-23H2,1-9H3/b24-10+/t26-,27+,28+,29+,30?,31?,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,44-,45+,46-,49-,50+,51+,52+/m0/s1 |
| InChIKey | MGAJXGNWINYKFU-KZWOEWNDSA-N |
| Mol Weight | 1013.2 g/mol |
| Molecular Formula | C52H84O19 |
| Exact Mass | 1012.56068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ddl4aYFXgf |
|---|---|
| Name | SITAKISOSIDE_XVI;3-O-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL_28-O-TOGLOYL_CHICHIPEGENIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O19 |
| InChI | InChI=1S/C52H84O19/c1-10-24(2)43(64)68-23-52-26(17-47(3,4)18-32(52)54)25-11-12-31-49(7)15-14-34(48(5,6)30(49)13-16-50(31,8)51(25,9)19-33(52)55)71-46-42(63)39(60)37(58)29(70-46)22-67-45-41(62)38(59)36(57)28(69-45)21-66-44-40(61)35(56)27(53)20-65-44/h10-11,26-42,44-46,53-63H,12-23H2,1-9H3/b24-10+/t26-,27+,28+,29+,30?,31?,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,44-,45+,46-,49-,50+,51+,52+/m0/s1 |
| InChIKey | MGAJXGNWINYKFU-KZWOEWNDSA-N |
| Literature Reference Author | K.YOSHIKAWA,A.MIZUTANI,Y.KAN,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,62(1997) |
| Literature Reference DOI | 10.1248/cpb.45.62 |
| Molecular Weight | 1013.228 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ22127 |