| SpectraBase Compound ID | 4Gg7BLaYXqB |
|---|---|
| InChI | InChI=1S/C35H52O14/c1-16-26(38)27(39)28(40)30(47-16)49-29-17(2)46-25(13-23(29)36)48-19-4-10-34(31(41)42)21-5-8-32(3)20(18-12-24(37)45-15-18)7-11-35(32,44)22(21)6-9-33(34,43)14-19/h12,16-17,19-23,25-30,36,38-40,43-44H,4-11,13-15H2,1-3H3,(H,41,42)/t16-,17-,19+,20?,21?,22?,23+,25+,26-,27+,28+,29-,30-,32-,33+,34-,35+/m1/s1 |
| InChIKey | CURMLGWGJTZFEZ-RSKCDWOVSA-N |
| Mol Weight | 696.8 g/mol |
| Molecular Formula | C35H52O14 |
| Exact Mass | 696.335706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B7OhEbFrGlq |
|---|---|
| Name | CHEIRANTHOSIDE-X;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-CHEIRANTHIDIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O14 |
| InChI | InChI=1S/C35H52O14/c1-16-26(38)27(39)28(40)30(47-16)49-29-17(2)46-25(13-23(29)36)48-19-4-10-34(31(41)42)21-5-8-32(3)20(18-12-24(37)45-15-18)7-11-35(32,44)22(21)6-9-33(34,43)14-19/h12,16-17,19-23,25-30,36,38-40,43-44H,4-11,13-15H2,1-3H3,(H,41,42)/t16-,17-,19+,20?,21?,22?,23+,25+,26-,27+,28+,29-,30-,32-,33+,34-,35+/m1/s1 |
| InChIKey | CURMLGWGJTZFEZ-RSKCDWOVSA-N |
| Literature Reference Author | Z.H.LEI,H.NAKAYAMA,A.KUNIYASU,B.S.TAI,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,861(2002) |
| Literature Reference DOI | 10.1248/cpb.50.861 |
| Molecular Weight | 696.789 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN8253 |