| SpectraBase Compound ID | CwfGsNb5wyR |
|---|---|
| InChI | InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23?,24+,25?,26?,27+,28-,29+,30+,31-,32-,33+,34-,37+,38+,39-,40-,41+/m1/s1 |
| InChIKey | KEOITPILCOILGM-AXJOHONASA-N |
| Mol Weight | 751.0 g/mol |
| Molecular Formula | C41H66O12 |
| Exact Mass | 750.455428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7nNCoY44gY9 |
|---|---|
| Name | HEDERAGENIN-3-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O12 |
| InChI | InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23?,24+,25?,26?,27+,28-,29+,30+,31-,32-,33+,34-,37+,38+,39-,40-,41+/m1/s1 |
| InChIKey | KEOITPILCOILGM-AXJOHONASA-N |
| Literature Reference Author | N.DETOMMASI,G.AUTORE,A.BELLINO,A.PINTO,C.PIZZA,R.SORRENTINO, P.VENTURELLA |
| Literature Reference Citation | J.NAT.PROD.,63,308(2000) |
| Literature Reference DOI | 10.1021/np990231n |
| Molecular Weight | 750.968 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU4099 |