| SpectraBase Compound ID | Dmim1BPqyM |
|---|---|
| InChI | InChI=1S/C47H74O21/c1-17-16-60-47(41(59)31(17)51)18(2)30-26(68-47)13-25-23-8-7-21-11-22(12-29(62-20(4)50)46(21,6)24(23)9-10-45(25,30)5)63-42-38(58)36(56)39(19(3)61-42)66-44-40(35(55)33(53)28(15-49)65-44)67-43-37(57)34(54)32(52)27(14-48)64-43/h7,17-19,22-44,48-49,51-59H,8-16H2,1-6H3/t17-,18+,19-,22-,23-,24+,25+,26+,27+,28+,29-,30+,31-,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,42+,43-,44-,45+,46+,47+/m1/s1 |
| InChIKey | BVGXRNQGCORRIZ-CGVVZBSISA-N |
| Mol Weight | 975.1 g/mol |
| Molecular Formula | C47H74O21 |
| Exact Mass | 974.472259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6vFTGX2gSi5 |
|---|---|
| Name | NEOBIRICOSIDE_A;(23-S,24-R,25-R)-1O-ACETYLSPIROST-5-ENE-1-BETA,3-BETA,23,24-TETROL_3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O21 |
| InChI | InChI=1S/C47H74O21/c1-17-16-60-47(41(59)31(17)51)18(2)30-26(68-47)13-25-23-8-7-21-11-22(12-29(62-20(4)50)46(21,6)24(23)9-10-45(25,30)5)63-42-38(58)36(56)39(19(3)61-42)66-44-40(35(55)33(53)28(15-49)65-44)67-43-37(57)34(54)32(52)27(14-48)64-43/h7,17-19,22-44,48-49,51-59H,8-16H2,1-6H3/t17-,18+,19-,22-,23-,24+,25+,26+,27+,28+,29-,30+,31-,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,42+,43-,44-,45+,46+,47+/m1/s1 |
| InChIKey | BVGXRNQGCORRIZ-CGVVZBSISA-N |
| Literature Reference Author | M.J.AHN,C.Y.KIM,K.D.YOON,M.Y.RYU,J.H.CHEONG,Y.W.CHIN,J.KIM |
| Literature Reference Citation | J.NAT.PROD.,69,360(2006) |
| Literature Reference DOI | 10.1021/np050394d |
| Molecular Weight | 975.092 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18111 |