![FOETIDISSIMOSIDE-A;3-O-BETA-[GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER](/api/spectrum/J5ToCT8wDSV/structure.png?h=300&w=458 "FOETIDISSIMOSIDE-A;3-O-BETA-[GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | IV0czFCYiHq |
|---|---|
| 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+/m0/s1 |
| InChIKey | XCOCMBMWEVIXCI-NKQPKLEUSA-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 | J5ToCT8wDSV |
|---|---|
| Name | FOETIDISSIMOSIDE-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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+/m0/s1 |
| InChIKey | XCOCMBMWEVIXCI-NKQPKLEUSA-N |
| Literature Reference Author | M.A.DUBOIS,R.BAUER,M.R.CAGIOOTI,H.WAGNER |
| Literature Reference Citation | PHYTOCHEM.,27,881(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)84112-8 |
| Molecular Weight | 1059.210 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK572 |