| SpectraBase Compound ID | 3RGX0VRxp8P |
|---|---|
| InChI | InChI=1S/C47H74O22S/c1-20(18-61-42-38(55)37(54)35(52)30(17-48)65-42)10-13-47(60-7)21(2)33-29(68-47)16-28-26-9-8-24-14-25(50)15-32(46(24,6)27(26)11-12-45(28,33)5)66-44-41(67-43-39(56)36(53)34(51)22(3)63-43)40(64-23(4)49)31(19-62-44)69-70(57,58)59/h8,21-22,25-44,48,50-56H,1,9-19H2,2-7H3,(H,57,58,59)/t21-,22+,25+,26+,27-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37+,38-,39-,40+,41-,42-,43+,44+,45-,46-,47?/m0/s1 |
| InChIKey | OWSXBHBWPNFIBQ-BKBUXGEESA-N |
| Mol Weight | 1023.1 g/mol |
| Molecular Formula | C47H74O22S |
| Exact Mass | 1022.439245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADajOe7nNQz |
|---|---|
| Name | #8;26-O-BETA-D-GLUCOPYRANOSYL-22-O-METHYL-FUROSTA-5,25(27)-DIENE-1-BETA,3-BETA,22-XI,26-TETROL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-3-O-ACETYL-4-O-SULFO-ALPHA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O22S |
| InChI | InChI=1S/C47H74O22S/c1-20(18-61-42-38(55)37(54)35(52)30(17-48)65-42)10-13-47(60-7)21(2)33-29(68-47)16-28-26-9-8-24-14-25(50)15-32(46(24,6)27(26)11-12-45(28,33)5)66-44-41(67-43-39(56)36(53)34(51)22(3)63-43)40(64-23(4)49)31(19-62-44)69-70(57,58)59/h8,21-22,25-44,48,50-56H,1,9-19H2,2-7H3,(H,57,58,59)/t21-,22+,25+,26+,27-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37+,38-,39-,40+,41-,42-,43+,44+,45-,46-,47?/m0/s1 |
| InChIKey | OWSXBHBWPNFIBQ-BKBUXGEESA-N |
| Literature Reference Author | Y.MIMAKI,M.KURODA,A.KAMEYAMA,A.YOKOSUKA,Y.SASHIDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,298(1998) |
| Literature Reference DOI | 10.1248/cpb.46.298 |
| Molecular Weight | 1023.151 g/mol |
| Solvent | C5D5N:CD3OD |
| Source File Reference | UWMS6229 |