| SpectraBase Compound ID | 29z4tECW9oA |
|---|---|
| InChI | InChI=1S/C45H72O21S/c1-19(17-59-40-37(53)36(52)33(49)28(16-46)62-40)9-12-45(58-6)20(2)31-27(65-45)15-26-24-8-7-22-13-23(47)14-30(44(22,5)25(24)10-11-43(26,31)4)63-42-39(34(50)29(18-60-42)66-67(55,56)57)64-41-38(54)35(51)32(48)21(3)61-41/h7,20-21,23-42,46-54H,1,8-18H2,2-6H3,(H,55,56,57)/t20-,21+,23+,24+,25-,26-,27-,28-,29+,30+,31-,32+,33-,34+,35-,36+,37-,38-,39-,40-,41+,42+,43-,44-,45?/m0/s1 |
| InChIKey | YKXIZNMSSDBADH-HLIUFHCASA-N |
| Mol Weight | 981.1 g/mol |
| Molecular Formula | C45H72O21S |
| Exact Mass | 980.42868 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CzqRGNhzgW |
|---|---|
| Name | #7;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)-4-O-SULFO-ALPHA-L-ARABINOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O21S |
| InChI | InChI=1S/C45H72O21S/c1-19(17-59-40-37(53)36(52)33(49)28(16-46)62-40)9-12-45(58-6)20(2)31-27(65-45)15-26-24-8-7-22-13-23(47)14-30(44(22,5)25(24)10-11-43(26,31)4)63-42-39(34(50)29(18-60-42)66-67(55,56)57)64-41-38(54)35(51)32(48)21(3)61-41/h7,20-21,23-42,46-54H,1,8-18H2,2-6H3,(H,55,56,57)/t20-,21+,23+,24+,25-,26-,27-,28-,29+,30+,31-,32+,33-,34+,35-,36+,37-,38-,39-,40-,41+,42+,43-,44-,45?/m0/s1 |
| InChIKey | YKXIZNMSSDBADH-HLIUFHCASA-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 | 981.114 g/mol |
| Solvent | C5D5N:CD3OD |
| Source File Reference | UWMS6228 |