| SpectraBase Compound ID | 3ZkZI4QLZvN |
|---|---|
| InChI | InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1 |
| InChIKey | NODILNFGTFIURN-USYOXQFSSA-N |
| Mol Weight | 1079.3 g/mol |
| Molecular Formula | C53H90O22 |
| Exact Mass | 1078.592375 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9Ga3pFVKAv |
|---|---|
| Name | G-RB(3) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H90O22 |
| InChI | InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1 |
| InChIKey | NODILNFGTFIURN-USYOXQFSSA-N |
| Literature Reference Author | K.HE,Y.LIU,Y.YANG,P.LI,L.YANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,177(2005) |
| Literature Reference DOI | 10.1248/cpb.53.177 |
| Molecular Weight | 1079.284 g/mol |
| Sample ID | 54698 |
| Solvent | C5D5N |