| SpectraBase Compound ID | 3uE5XfpHfPE |
|---|---|
| InChI | InChI=1S/C47H72O16/c1-22-28(14-15-55-22)29-12-13-31-30(43(29)51)11-10-27-16-34(33(49)21-47(27,31)6)60-39-19-36(53-8)46(25(4)58-39)63-41-20-37(54-9)45(26(5)59-41)62-38-17-32(48)44(24(3)57-38)61-40-18-35(52-7)42(50)23(2)56-40/h10,14-15,23-26,29-42,44-46,48-50H,11-13,16-21H2,1-9H3/t23-,24+,25+,26+,29-,30-,31+,32-,33-,34-,35+,36-,37-,38-,39-,40+,41+,42-,44+,45-,46+,47+/m1/s1 |
| InChIKey | PAEHIULJLVZGLP-YQQXTPRFSA-N |
| Mol Weight | 893.1 g/mol |
| Molecular Formula | C47H72O16 |
| Exact Mass | 892.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQFTyQRVcy0 |
|---|---|
| Name | SUBLANCEOSIDE-J1 |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O16 |
| InChI | InChI=1S/C47H72O16/c1-22-28(14-15-55-22)29-12-13-31-30(43(29)51)11-10-27-16-34(33(49)21-47(27,31)6)60-39-19-36(53-8)46(25(4)58-39)63-41-20-37(54-9)45(26(5)59-41)62-38-17-32(48)44(24(3)57-38)61-40-18-35(52-7)42(50)23(2)56-40/h10,14-15,23-26,29-42,44-46,48-50H,11-13,16-21H2,1-9H3/t23-,24+,25+,26+,29-,30-,31+,32-,33-,34-,35+,36-,37-,38-,39-,40+,41+,42-,44+,45-,46+,47+/m1/s1 |
| InChIKey | PAEHIULJLVZGLP-YQQXTPRFSA-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 | 893.079 g/mol |
| Sample ID | 55391 |
| Solvent | C5D5N |