| SpectraBase Compound ID | DlljPfU5NGZ |
|---|---|
| InChI | InChI=1S/C48H74O20/c1-21-42(66-36-15-31(56-7)43(22(2)61-36)67-37-16-32(57-8)44(23(3)62-37)68-46-41(53)40(52)39(51)33(18-49)65-46)30(55-6)14-35(60-21)63-29-13-25-10-11-26-27(47(25,4)17-28(29)50)12-9-24-19-58-48(5)38(24)34(20-59-48)64-45(26)54/h10,19,21-23,26-44,46,49-53H,9,11-18,20H2,1-8H3/t21-,22-,23+,26+,27-,28+,29+,30+,31+,32-,33+,34+,35+,36-,37+,38+,39+,40-,41+,42-,43+,44+,46-,47-,48-/m0/s1 |
| InChIKey | GZPAIOJUUWWJCN-YPRLGOGOSA-N |
| Mol Weight | 971.1 g/mol |
| Molecular Formula | C48H74O20 |
| Exact Mass | 970.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIhJvYAcUwA |
|---|---|
| Name | SUBLANCEOSIDE-H2 |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O20 |
| InChI | InChI=1S/C48H74O20/c1-21-42(66-36-15-31(56-7)43(22(2)61-36)67-37-16-32(57-8)44(23(3)62-37)68-46-41(53)40(52)39(51)33(18-49)65-46)30(55-6)14-35(60-21)63-29-13-25-10-11-26-27(47(25,4)17-28(29)50)12-9-24-19-58-48(5)38(24)34(20-59-48)64-45(26)54/h10,19,21-23,26-44,46,49-53H,9,11-18,20H2,1-8H3/t21-,22-,23+,26+,27-,28+,29+,30+,31+,32-,33+,34+,35+,36-,37+,38+,39+,40-,41+,42-,43+,44+,46-,47-,48-/m0/s1 |
| InChIKey | GZPAIOJUUWWJCN-YPRLGOGOSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1551(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1551 |
| Molecular Weight | 971.104 g/mol |
| Sample ID | 55386 |
| Solvent | C5D5N |