| SpectraBase Compound ID | ACPlHXD0FQz |
|---|---|
| InChI | InChI=1S/C51H76O18/c1-23-13-18-51(58-22-23)24(2)40-39(69-51)21-36-34-20-38(37-19-33(61-27(5)52)14-16-49(37,11)35(34)15-17-50(36,40)12)67-47-46(66-32(10)57)44(42(26(4)59-47)63-29(7)54)68-48-45(65-31(9)56)43(64-30(8)55)41(25(3)60-48)62-28(6)53/h23-26,33-48H,13-22H2,1-12H3/t23-,24-,25+,26-,33-,34+,35-,36-,37+,38-,39-,40-,41+,42-,43-,44+,45-,46-,47+,48+,49+,50-,51+/m0/s1 |
| InChIKey | PDLVHRBJKFTOLX-JFDQXSNPSA-N |
| Mol Weight | 977.2 g/mol |
| Molecular Formula | C51H76O18 |
| Exact Mass | 976.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CSY6RaYtfV |
|---|---|
| Name | 6-ALPHA-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-QUINOVOPYRANOSYL-(25R)-5-ALPHA-SPIROSTAN-3-BETA-OL-PERACETATE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H76O18 |
| InChI | InChI=1S/C51H76O18/c1-23-13-18-51(58-22-23)24(2)40-39(69-51)21-36-34-20-38(37-19-33(61-27(5)52)14-16-49(37,11)35(34)15-17-50(36,40)12)67-47-46(66-32(10)57)44(42(26(4)59-47)63-29(7)54)68-48-45(65-31(9)56)43(64-30(8)55)41(25(3)60-48)62-28(6)53/h23-26,33-48H,13-22H2,1-12H3/t23-,24-,25+,26-,33-,34+,35-,36-,37+,38-,39-,40-,41+,42-,43-,44+,45-,46-,47+,48+,49+,50-,51+/m0/s1 |
| InChIKey | PDLVHRBJKFTOLX-JFDQXSNPSA-N |
| Literature Reference Author | A.ZAMILPA,J.TORTORIELLO,V.NAVARRO,G.DELGADO,L.ALVAREZ |
| Literature Reference Citation | J.NAT.PROD.,65,1815(2002) |
| Literature Reference DOI | 10.1021/np020261h |
| Molecular Weight | 977.154 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16444 |