| SpectraBase Compound ID | J4XlwNjPP8F |
|---|---|
| InChI | InChI=1S/C54H88O23/c1-22-31(59)34(62)37(65)45(70-22)76-42-36(64)33(61)26(20-56)72-47(42)74-40-39(67)41(44(68)69)75-48(43(40)77-46-38(66)35(63)32(60)25(19-55)71-46)73-30-12-13-51(6)27(50(30,4)5)11-14-52(7)28(51)10-9-23-24-17-49(2,3)15-16-54(24,21-57)29(58)18-53(23,52)8/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22?,24?,25-,26-,27?,28?,29-,30+,31-,32?,33+,34-,35+,36+,37?,38+,39+,40+,41+,42-,43-,45?,46+,47+,48-,51+,52-,53-,54-/m0/s1 |
| InChIKey | UVYRCNUUQOLZRE-NUYRMKQESA-N |
| Mol Weight | 1105.3 g/mol |
| Molecular Formula | C54H88O23 |
| Exact Mass | 1104.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxyDRZA2Zmu |
|---|---|
| Name | PS-4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C54H88O23 |
| InChI | InChI=1S/C54H88O23/c1-22-31(59)34(62)37(65)45(70-22)76-42-36(64)33(61)26(20-56)72-47(42)74-40-39(67)41(44(68)69)75-48(43(40)77-46-38(66)35(63)32(60)25(19-55)71-46)73-30-12-13-51(6)27(50(30,4)5)11-14-52(7)28(51)10-9-23-24-17-49(2,3)15-16-54(24,21-57)29(58)18-53(23,52)8/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22?,24?,25-,26-,27?,28?,29-,30+,31-,32?,33+,34-,35+,36+,37?,38+,39+,40+,41+,42-,43-,45?,46+,47+,48-,51+,52-,53-,54-/m0/s1 |
| InChIKey | UVYRCNUUQOLZRE-NUYRMKQESA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |