| SpectraBase Compound ID | A99H6akoU05 |
|---|---|
| InChI | InChI=1S/C53H90O29/c1-20(11-9-13-21(2)15-16-70-52-46(81-50-41(68)37(64)32(59)25(6)74-50)44(33(60)28(17-54)77-52)79-48-39(66)35(62)30(57)23(4)72-48)12-10-14-22(3)19-71-53-47(82-51-42(69)38(65)43(26(7)75-51)76-27(8)56)45(34(61)29(18-55)78-53)80-49-40(67)36(63)31(58)24(5)73-49/h11,15,22-26,28-55,57-69H,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 | BLNURIHBNBEENZ-QVGUHQIKSA-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 | 5fYXxICjp39 |
|---|---|
| Name | 4'''''-O-ACETYL-MUKUROZIOSIDE-IIA |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H90O29 |
| InChI | InChI=1S/C53H90O29/c1-20(11-9-13-21(2)15-16-70-52-46(81-50-41(68)37(64)32(59)25(6)74-50)44(33(60)28(17-54)77-52)79-48-39(66)35(62)30(57)23(4)72-48)12-10-14-22(3)19-71-53-47(82-51-42(69)38(65)43(26(7)75-51)76-27(8)56)45(34(61)29(18-55)78-53)80-49-40(67)36(63)31(58)24(5)73-49/h11,15,22-26,28-55,57-69H,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 | BLNURIHBNBEENZ-QVGUHQIKSA-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 | UWBT3916 |