| SpectraBase Compound ID | GVKLZFM028I |
|---|---|
| InChI | InChI=1S/C52H82O20/c1-10-23(2)43(65)69-32-19-47(3,4)17-25-24-11-12-29-49(7)15-14-31(70-46-39(62)40(38(61)41(72-46)42(63)64)71-45-37(60)35(58)34(57)27(20-53)68-45)48(5,6)28(49)13-16-50(29,8)51(24,9)18-30(55)52(25,32)22-67-44-36(59)33(56)26(54)21-66-44/h10-11,25-41,44-46,53-62H,12-22H2,1-9H3,(H,63,64)/b23-10+/t25-,26-,27+,28?,29?,30-,31-,32-,33+,34+,35-,36-,37+,38-,39+,40-,41-,44+,45-,46+,49-,50+,51+,52-/m0/s1 |
| InChIKey | LTFJFHBXULEJBB-JMDGCLOISA-N |
| Mol Weight | 1027.2 g/mol |
| Molecular Formula | C52H82O20 |
| Exact Mass | 1026.539945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjM7hBDhnVK |
|---|---|
| Name | ALTERNOSIDE-XVI;CHICHIPEGENIN-22-O-TIGLOYL-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL-28-O-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82O20 |
| InChI | InChI=1S/C52H82O20/c1-10-23(2)43(65)69-32-19-47(3,4)17-25-24-11-12-29-49(7)15-14-31(70-46-39(62)40(38(61)41(72-46)42(63)64)71-45-37(60)35(58)34(57)27(20-53)68-45)48(5,6)28(49)13-16-50(29,8)51(24,9)18-30(55)52(25,32)22-67-44-36(59)33(56)26(54)21-66-44/h10-11,25-41,44-46,53-62H,12-22H2,1-9H3,(H,63,64)/b23-10+/t25-,26-,27+,28?,29?,30-,31-,32-,33+,34+,35-,36-,37+,38-,39+,40-,41-,44+,45-,46+,49-,50+,51+,52-/m0/s1 |
| InChIKey | LTFJFHBXULEJBB-JMDGCLOISA-N |
| Literature Reference Author | K.YOSHIKAWA,K.TAKAHASHI,K.MATSUCHIKA,S.ARIHARA,H.C.CHANG,J.D .WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1598(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1598 |
| Molecular Weight | 1027.211 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8393 |