| SpectraBase Compound ID | Fl5f3NAvWsD |
|---|---|
| InChI | InChI=1S/C52H82O22/c1-21-38(71-42-35(61)30(56)24(53)19-67-42)34(60)37(63)43(69-21)73-40-31(57)25(54)20-68-45(40)74-46(66)52-16-15-47(2,3)17-23(52)22-9-10-27-49(6)13-12-29(70-44-36(62)32(58)33(59)39(72-44)41(64)65)48(4,5)26(49)11-14-50(27,7)51(22,8)18-28(52)55/h9,21,23-40,42-45,53-63H,10-20H2,1-8H3,(H,64,65)/t21?,23-,24?,25?,26?,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,42?,43?,44?,45?,49?,50?,51+,52+/m1/s1 |
| InChIKey | XCOCMBMWEVIXCI-UOHDGSLOSA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C52H82O22 |
| Exact Mass | 1058.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2XbIoe1wzPr |
|---|---|
| Name | Foetidissimoside-A |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C52H82O22 |
| InChI | InChI=1S/C52H82O22/c1-21-38(71-42-35(61)30(56)24(53)19-67-42)34(60)37(63)43(69-21)73-40-31(57)25(54)20-68-45(40)74-46(66)52-16-15-47(2,3)17-23(52)22-9-10-27-49(6)13-12-29(70-44-36(62)32(58)33(59)39(72-44)41(64)65)48(4,5)26(49)11-14-50(27,7)51(22,8)18-28(52)55/h9,21,23-40,42-45,53-63H,10-20H2,1-8H3,(H,64,65)/t21?,23-,24?,25?,26?,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,42?,43?,44?,45?,49?,50?,51+,52+/m1/s1 |
| InChIKey | XCOCMBMWEVIXCI-UOHDGSLOSA-N |
| Instrument Name | SF = 400 MHz |
| Literature Reference | Phytochem. 27, 881 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |