![NEOSIBIRICOSIDE_B;(25-S)-1-O-ACETYLSPIROST-5-ENE-1-BETA,3-BETA-DIOL_3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANO](/api/spectrum/DJtWPWo7ALR/structure.png?h=300&w=458 "NEOSIBIRICOSIDE_B;(25-S)-1-O-ACETYLSPIROST-5-ENE-1-BETA,3-BETA-DIOL_3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANO")
| SpectraBase Compound ID | 2doSH8zIrMH |
|---|---|
| InChI | InChI=1S/C52H82O24/c1-20-8-11-52(67-18-20)21(2)34-29(76-52)14-27-25-7-6-23-12-24(13-33(68-22(3)56)51(23,5)26(25)9-10-50(27,34)4)69-47-42(65)39(62)43(32(17-55)72-47)73-49-45(75-48-41(64)38(61)36(59)30(15-53)70-48)44(37(60)31(16-54)71-49)74-46-40(63)35(58)28(57)19-66-46/h6,20-21,24-49,53-55,57-65H,7-19H2,1-5H3/t20-,21+,24-,25-,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41+,42-,43+,44-,45+,46+,47-,48-,49-,50+,51+,52+/m1/s1 |
| InChIKey | NNFPCHSMSQYLNS-NIECXZHDSA-N |
| Mol Weight | 1091.2 g/mol |
| Molecular Formula | C52H82O24 |
| Exact Mass | 1090.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJtWPWo7ALR |
|---|---|
| Name | NEOSIBIRICOSIDE_B;(25-S)-1-O-ACETYLSPIROST-5-ENE-1-BETA,3-BETA-DIOL_3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANO |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82O24 |
| InChI | InChI=1S/C52H82O24/c1-20-8-11-52(67-18-20)21(2)34-29(76-52)14-27-25-7-6-23-12-24(13-33(68-22(3)56)51(23,5)26(25)9-10-50(27,34)4)69-47-42(65)39(62)43(32(17-55)72-47)73-49-45(75-48-41(64)38(61)36(59)30(15-53)70-48)44(37(60)31(16-54)71-49)74-46-40(63)35(58)28(57)19-66-46/h6,20-21,24-49,53-55,57-65H,7-19H2,1-5H3/t20-,21+,24-,25-,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41+,42-,43+,44-,45+,46+,47-,48-,49-,50+,51+,52+/m1/s1 |
| InChIKey | NNFPCHSMSQYLNS-NIECXZHDSA-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 | 1091.209 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18112 |