| SpectraBase Compound ID | 9v3wX0buJqS |
|---|---|
| InChI | InChI=1S/C32H46O7/c1-16(14-33)17(2)27(37)28(38)19(4)26-23(39-20(5)34)13-30(7)24-12-22(36)25-18(3)21(35)8-9-32(25)15-31(24,32)11-10-29(26,30)6/h8-9,16,18-19,22-26,28,33,36,38H,2,10-15H2,1,3-7H3/t16-,18+,19-,22+,23-,24-,25+,26-,28+,29+,30-,31-,32+/m0/s1 |
| InChIKey | BSGPJBALTHTFJC-AOONZWGDSA-N |
| Mol Weight | 542.7 g/mol |
| Molecular Formula | C32H46O7 |
| Exact Mass | 542.324354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fa66dNIRoli |
|---|---|
| Name | 6-BETA-HYDROXY-22-DE-O-ACETYLNEOBOUTOMELLERONE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46O7 |
| InChI | InChI=1S/C32H46O7/c1-16(14-33)17(2)27(37)28(38)19(4)26-23(39-20(5)34)13-30(7)24-12-22(36)25-18(3)21(35)8-9-32(25)15-31(24,32)11-10-29(26,30)6/h8-9,16,18-19,22-26,28,33,36,38H,2,10-15H2,1,3-7H3/t16-,18+,19-,22+,23-,24-,25+,26-,28+,29+,30-,31-,32+/m0/s1 |
| InChIKey | BSGPJBALTHTFJC-AOONZWGDSA-N |
| Literature Reference Author | C.LONG,J.BECK,F.CANTAGREL,L.MARCOURT,L.VENDIER,B.DAVID,F.PLI SSON,F.DERGUINI,I.VA |
| Literature Reference Citation | J.NAT.PROD.,75,34(2012) |
| Literature Reference DOI | 10.1021/np200441h |
| Molecular Weight | 542.713 g/mol |
| Sample ID | 39720 |
| Solvent | CDCl3 |