| SpectraBase Compound ID | C6q7BT0S9Xy |
|---|---|
| InChI | InChI=1S/C47H74O16/c1-10-22(2)39(58)59-21-47-24(17-42(3,4)18-28(47)49)23-11-12-27-44(7)15-14-30(43(5,6)26(44)13-16-45(27,8)46(23,9)19-29(47)50)61-41-35(55)36(34(54)37(63-41)38(56)57)62-40-33(53)32(52)31(51)25(20-48)60-40/h10-11,24-37,40-41,48-55H,12-21H2,1-9H3,(H,56,57)/b22-10+/t24-,25+,26?,27?,28-,29-,30-,31+,32-,33+,34-,35+,36-,37-,40-,41+,44-,45+,46+,47+/m0/s1 |
| InChIKey | KDUNRTGBYYTMMX-SEMYFBMNSA-N |
| Mol Weight | 895.1 g/mol |
| Molecular Formula | C47H74O16 |
| Exact Mass | 894.497686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7HWs27BpVfh |
|---|---|
| Name | ALTERNOSIDE-XII;CHICHIPEGENIN-28-O-TIGLOYL-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O16 |
| InChI | InChI=1S/C47H74O16/c1-10-22(2)39(58)59-21-47-24(17-42(3,4)18-28(47)49)23-11-12-27-44(7)15-14-30(43(5,6)26(44)13-16-45(27,8)46(23,9)19-29(47)50)61-41-35(55)36(34(54)37(63-41)38(56)57)62-40-33(53)32(52)31(51)25(20-48)60-40/h10-11,24-37,40-41,48-55H,12-21H2,1-9H3,(H,56,57)/b22-10+/t24-,25+,26?,27?,28-,29-,30-,31+,32-,33+,34-,35+,36-,37-,40-,41+,44-,45+,46+,47+/m0/s1 |
| InChIKey | KDUNRTGBYYTMMX-SEMYFBMNSA-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 | 895.095 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8389 |