| SpectraBase Compound ID | 6NPhygolB2O |
|---|---|
| InChI | InChI=1S/C58H95NO29/c1-21-36-30(88-58(21)35(79-22(2)64)11-23(14-59-58)19-77-51-45(74)41(70)38(67)31(15-60)81-51)13-28-26-6-5-24-12-25(7-9-56(24,3)27(26)8-10-57(28,36)4)80-53-47(76)43(72)48(34(18-63)84-53)85-55-50(87-54-46(75)42(71)39(68)32(16-61)82-54)49(40(69)33(17-62)83-55)86-52-44(73)37(66)29(65)20-78-52/h21,23-55,59-63,65-76H,5-20H2,1-4H3/t21?,23-,24-,25-,26+,27-,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+,54+,55+,56?,57?,58-/m0/s1 |
| InChIKey | VSQBWNYALURFOT-YVTDCDKASA-N |
| Mol Weight | 1270.4 g/mol |
| Molecular Formula | C58H95NO29 |
| Exact Mass | 1269.598976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXDmjtZ2nwk |
|---|---|
| Name | ESCLEOSIDE-A;(23S,25S)-23-ACETOXY-5-ALPHA,22-ALPHA-N-3-BETA,27-DIHYDROSPIROSOLAN-3-O-BETA-D-LYCOTETRAOSYL-27-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H95NO29 |
| InChI | InChI=1S/C58H95NO29/c1-21-36-30(88-58(21)35(79-22(2)64)11-23(14-59-58)19-77-51-45(74)41(70)38(67)31(15-60)81-51)13-28-26-6-5-24-12-25(7-9-56(24,3)27(26)8-10-57(28,36)4)80-53-47(76)43(72)48(34(18-63)84-53)85-55-50(87-54-46(75)42(71)39(68)32(16-61)82-54)49(40(69)33(17-62)83-55)86-52-44(73)37(66)29(65)20-78-52/h21,23-55,59-63,65-76H,5-20H2,1-4H3/t21?,23-,24-,25-,26+,27-,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+,54+,55+,56?,57?,58-/m0/s1 |
| InChIKey | VSQBWNYALURFOT-YVTDCDKASA-N |
| Literature Reference Author | Y.FUJIWARA,S.YAHARA,T.IKEDA,M.ONO,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,234(2003) |
| Literature Reference DOI | 10.1248/cpb.51.234 |
| Molecular Weight | 1270.382 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMS21138 |