| SpectraBase Compound ID | 5cjN3jO5sF |
|---|---|
| InChI | InChI=1S/C33H56O15/c1-18(14-12-10-8-6-4-3-5-7-9-11-13-15-20-23(30(41)42)19(2)31(43)46-20)45-33-29(40)27(38)25(36)22(48-33)17-44-32-28(39)26(37)24(35)21(16-34)47-32/h18,20-29,32-40H,2-17H2,1H3,(H,41,42)/t18-,20-,21-,22+,23-,24-,25+,26+,27-,28-,29+,32-,33+/m1/s1 |
| InChIKey | PTFJXEMZCYFRLR-FNASCOEZSA-N |
| Mol Weight | 692.8 g/mol |
| Molecular Formula | C33H56O15 |
| Exact Mass | 692.361921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AyMFEuXaehU |
|---|---|
| Name | PROTOCONSTIPATIC-ACID-(18S)-18-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H56O15 |
| InChI | InChI=1S/C33H56O15/c1-18(14-12-10-8-6-4-3-5-7-9-11-13-15-20-23(30(41)42)19(2)31(43)46-20)45-33-29(40)27(38)25(36)22(48-33)17-44-32-28(39)26(37)24(35)21(16-34)47-32/h18,20-29,32-40H,2-17H2,1H3,(H,41,42)/t18-,20-,21-,22+,23-,24-,25+,26+,27-,28-,29+,32-,33+/m1/s1 |
| InChIKey | PTFJXEMZCYFRLR-FNASCOEZSA-N |
| Literature Reference Author | T.REZANKA,I.A.GUSCHINA |
| Literature Reference Citation | PHYTOCHEM.,56,181(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00372-1 |
| Molecular Weight | 692.799 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN1704 |