| SpectraBase Compound ID | 1yyBpV1HlUD |
|---|---|
| InChI | InChI=1S/C34H46O16/c1-12(2)13(3)7-19(36)50-25-27-33-11-46-34(27,31(44)45-6)28(42)24(41)26(33)32(5)9-16(20(37)14(4)15(32)8-18(33)49-29(25)43)47-30-23(40)22(39)21(38)17(10-35)48-30/h7,9,12,14-15,17-18,21-28,30,35,38-42H,8,10-11H2,1-6H3/b13-7+/t14-,15-,17-,18+,21-,22+,23-,24-,25+,26-,27+,28-,30-,32-,33+,34+/m1/s1 |
| InChIKey | ASHBUMOFZXVPPC-YCFVSPATSA-N |
| Mol Weight | 710.7 g/mol |
| Molecular Formula | C34H46O16 |
| Exact Mass | 710.278585 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TQrg59gkxG |
|---|---|
| Name | BRUCEANTINOSIDE-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46O16 |
| InChI | InChI=1S/C34H46O16/c1-12(2)13(3)7-19(36)50-25-27-33-11-46-34(27,31(44)45-6)28(42)24(41)26(33)32(5)9-16(20(37)14(4)15(32)8-18(33)49-29(25)43)47-30-23(40)22(39)21(38)17(10-35)48-30/h7,9,12,14-15,17-18,21-28,30,35,38-42H,8,10-11H2,1-6H3/b13-7+/t14-,15-,17-,18+,21-,22+,23-,24-,25+,26-,27+,28-,30-,32-,33+,34+/m1/s1 |
| InChIKey | ASHBUMOFZXVPPC-YCFVSPATSA-N |
| Literature Reference Author | N.FUKAMIYA,M.OKANO,K.TAGAHARA,T.ARATANI,Y.MURAMOTO,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,50,1075(1987) |
| Literature Reference DOI | 10.1021/np50054a010 |
| Molecular Weight | 710.730 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS4313 |