SpectraBase Compound ID | A2ExigGLaZd |
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InChI | InChI=1S/C35H48O14/c1-16-9-25(48-30-29(41)28(40)27(39)24(13-36)46-30)35(43)31(45-16)47-22-11-18-3-4-21-20(33(18,15-37)12-23(22)49-35)5-7-32(2)19(6-8-34(21,32)42)17-10-26(38)44-14-17/h3,10,15-16,19-25,27-31,36,39-43H,4-9,11-14H2,1-2H3/t16-,19-,20+,21+,22?,23-,24+,25+,27+,28-,29+,30-,31+,32-,33-,34+,35+/m1/s1 |
InChIKey | ZNURLGCTNWVTID-WIOWDNQESA-N |
Mol Weight | 692.8 g/mol |
Molecular Formula | C35H48O14 |
Exact Mass | 692.304406 g/mol |
SpectraBase Spectrum ID | 5XdxJNPsslu |
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Name | DELTA-(5)-CALOTROPIN-3'-O-BETA-D-GLUCOPYRANOSIDE |
Compound Number | 3 |
Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C35H48O14 |
InChI | InChI=1S/C35H48O14/c1-16-9-25(48-30-29(41)28(40)27(39)24(13-36)46-30)35(43)31(45-16)47-22-11-18-3-4-21-20(33(18,15-37)12-23(22)49-35)5-7-32(2)19(6-8-34(21,32)42)17-10-26(38)44-14-17/h3,10,15-16,19-25,27-31,36,39-43H,4-9,11-14H2,1-2H3/t16-,19-,20+,21+,22?,23-,24+,25+,27+,28-,29+,30-,31+,32-,33-,34+,35+/m1/s1 |
InChIKey | ZNURLGCTNWVTID-WIOWDNQESA-N |
Literature Reference Author | F.ABE,T.YAMAUCHI |
Literature Reference Citation | CHEM.PHARM.BULL.,48,991(2000) |
Literature Reference DOI | 10.1248/cpb.48.991 |
Molecular Weight | 692.758 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN4335 |