| SpectraBase Compound ID | JscDBeyI61v |
|---|---|
| InChI | InChI=1S/C51H82O20/c1-22-32(55)34(57)36(59)43(66-22)65-21-51-25(17-46(3,4)18-29(51)54)24-11-12-28-48(7)15-14-30(47(5,6)27(48)13-16-49(28,8)50(24,9)19-31(51)67-23(2)53)69-45-39(62)40(38(61)41(71-45)42(63)64-10)70-44-37(60)35(58)33(56)26(20-52)68-44/h11,22,25-41,43-45,52,54-62H,12-21H2,1-10H3/t22-,25-,26+,27-,28+,29-,30-,31-,32-,33+,34+,35-,36+,37+,38-,39+,40-,41-,43+,44-,45+,48-,49+,50+,51+/m0/s1 |
| InChIKey | KYEIXAAOWRAUIV-SYCOPXMJSA-N |
| Mol Weight | 1015.2 g/mol |
| Molecular Formula | C51H82O20 |
| Exact Mass | 1014.539945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KkpNFbDEJ7j |
|---|---|
| Name | CHICHIPEGENIN-16-O-ACETYL-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL-METHYLESTER-28-O-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O20 |
| InChI | InChI=1S/C51H82O20/c1-22-32(55)34(57)36(59)43(66-22)65-21-51-25(17-46(3,4)18-29(51)54)24-11-12-28-48(7)15-14-30(47(5,6)27(48)13-16-49(28,8)50(24,9)19-31(51)67-23(2)53)69-45-39(62)40(38(61)41(71-45)42(63)64-10)70-44-37(60)35(58)33(56)26(20-52)68-44/h11,22,25-41,43-45,52,54-62H,12-21H2,1-10H3/t22-,25-,26+,27-,28+,29-,30-,31-,32-,33+,34+,35-,36+,37+,38-,39+,40-,41-,43+,44-,45+,48-,49+,50+,51+/m0/s1 |
| InChIKey | KYEIXAAOWRAUIV-SYCOPXMJSA-N |
| Literature Reference Author | K.YOSHIKAWA,H.OGATA,S.ARIHARA,H.C.CHANG,J.D.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1102(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1102 |
| Molecular Weight | 1015.200 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6577 |