| SpectraBase Compound ID | 8UY9ZBSVGjm |
|---|---|
| InChI | InChI=1S/C53H90O29/c1-20(12-10-14-22(3)18-72-53-47(82-51-43(69)39(65)33(59)26(7)76-51)44(34(60)28(17-54)77-53)79-48-40(66)36(62)30(56)23(4)73-48)11-9-13-21(2)15-16-70-52-46(81-50-42(68)38(64)32(58)25(6)75-50)45(35(61)29(78-52)19-71-27(8)55)80-49-41(67)37(63)31(57)24(5)74-49/h11,15,22-26,28-54,56-69H,9-10,12-14,16-19H2,1-8H3/b20-11+,21-15-/t22-,23+,24+,25-,26+,28-,29-,30+,31+,32-,33+,34-,35-,36-,37-,38+,39-,40-,41-,42+,43-,44+,45+,46-,47-,48+,49+,50-,51+,52-,53-/m0/s1 |
| InChIKey | KYCDBGDGRQBVQY-TXCSSJTESA-N |
| Mol Weight | 1191.3 g/mol |
| Molecular Formula | C53H90O29 |
| Exact Mass | 1190.556777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5csz72ygNfj |
|---|---|
| Name | 6'-O-ACETYL-MUKUROZIOSIDE-IIA |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H90O29 |
| InChI | InChI=1S/C53H90O29/c1-20(12-10-14-22(3)18-72-53-47(82-51-43(69)39(65)33(59)26(7)76-51)44(34(60)28(17-54)77-53)79-48-40(66)36(62)30(56)23(4)73-48)11-9-13-21(2)15-16-70-52-46(81-50-42(68)38(64)32(58)25(6)75-50)45(35(61)29(78-52)19-71-27(8)55)80-49-41(67)37(63)31(57)24(5)74-49/h11,15,22-26,28-54,56-69H,9-10,12-14,16-19H2,1-8H3/b20-11+,21-15-/t22-,23+,24+,25-,26+,28-,29-,30+,31+,32-,33+,34-,35-,36-,37-,38+,39-,40-,41-,42+,43-,44+,45+,46-,47-,48+,49+,50-,51+,52-,53-/m0/s1 |
| InChIKey | KYCDBGDGRQBVQY-TXCSSJTESA-N |
| Literature Reference Author | T.MORIKAWA,Y.XIE,K.NINOMIYA,M.OKAMOTO,O.MURAOKA,D.YUAN,M.YOS HIKAWA,T.HAYAKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,1276(2010) |
| Literature Reference DOI | 10.1248/cpb.58.1276 |
| Molecular Weight | 1191.280 g/mol |
| Source File Reference | UWBT3913 |