| SpectraBase Compound ID | 1VRshyAaaQE |
|---|---|
| InChI | InChI=1S/C50H74O18/c1-23-12-17-50(58-21-23)24(2)40-38(68-50)20-35-33-19-37(36-18-32(60-26(4)51)13-15-48(36,10)34(33)14-16-49(35,40)11)66-47-45(65-31(9)56)43(41(25(3)59-47)62-28(6)53)67-46-44(64-30(8)55)42(63-29(7)54)39(22-57-46)61-27(5)52/h23-25,32-47H,12-22H2,1-11H3/t23-,24-,25-,32-,33+,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50+/m0/s1 |
| InChIKey | FFVICXZZFWNTFE-BJWVODFTSA-N |
| Mol Weight | 963.1 g/mol |
| Molecular Formula | C50H74O18 |
| Exact Mass | 962.487516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3RqLOt3nQji |
|---|---|
| Name | 6-ALPHA-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-QUINOVOPYRANOSYL-(25R)-5-ALPHA-SPIROSTAN-3-BETA-OL-PERACETATE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H74O18 |
| InChI | InChI=1S/C50H74O18/c1-23-12-17-50(58-21-23)24(2)40-38(68-50)20-35-33-19-37(36-18-32(60-26(4)51)13-15-48(36,10)34(33)14-16-49(35,40)11)66-47-45(65-31(9)56)43(41(25(3)59-47)62-28(6)53)67-46-44(64-30(8)55)42(63-29(7)54)39(22-57-46)61-27(5)52/h23-25,32-47H,12-22H2,1-11H3/t23-,24-,25-,32-,33+,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50+/m0/s1 |
| InChIKey | FFVICXZZFWNTFE-BJWVODFTSA-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 | 963.127 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16441 |