| SpectraBase Compound ID | HFVWLFPCJr0 |
|---|---|
| InChI | InChI=1S/C52H84O22/c1-46(2)14-15-51-28(16-46)52(74-45(51)65)13-9-27-48(5)11-10-30(47(3,4)26(48)8-12-49(27,6)50(52,7)17-29(51)56)71-43-39(73-42-38(64)35(61)32(58)23(18-53)68-42)34(60)25(21-67-43)70-44-40(36(62)33(59)24(19-54)69-44)72-41-37(63)31(57)22(55)20-66-41/h22-44,53-64H,8-21H2,1-7H3/t22-,23+,24+,25+,26-,27+,28+,29+,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,48-,49+,50-,51+,52-/m0/s1 |
| InChIKey | SQEDIDDTAQXYTN-XQWNKXCISA-N |
| Mol Weight | 1061.2 g/mol |
| Molecular Formula | C52H84O22 |
| Exact Mass | 1060.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7rcFpwcikTf |
|---|---|
| Name | #4;3-BEAT-O-{ALPHA-L-XYLOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->4)-{O-BETA-D-GLUCOPYRANOSYL-(1->2)}-ALPHA-L-ARABINOPYRANOSYL}-16-ALPHA-HYDROXYOLEAN-28,13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O22 |
| InChI | InChI=1S/C52H84O22/c1-46(2)14-15-51-28(16-46)52(74-45(51)65)13-9-27-48(5)11-10-30(47(3,4)26(48)8-12-49(27,6)50(52,7)17-29(51)56)71-43-39(73-42-38(64)35(61)32(58)23(18-53)68-42)34(60)25(21-67-43)70-44-40(36(62)33(59)24(19-54)69-44)72-41-37(63)31(57)22(55)20-66-41/h22-44,53-64H,8-21H2,1-7H3/t22-,23+,24+,25+,26-,27+,28+,29+,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,48-,49+,50-,51+,52-/m0/s1 |
| InChIKey | SQEDIDDTAQXYTN-XQWNKXCISA-N |
| Literature Reference Author | S.J.BLOOR,L.QI |
| Literature Reference Citation | J.NAT.PROD.,57,1354(1994) |
| Literature Reference DOI | 10.1021/np50112a004 |
| Molecular Weight | 1061.226 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWTS2620 |