| SpectraBase Compound ID | 1lwfgyGJUj0 |
|---|---|
| InChI | InChI=1S/C29H38O12/c1-13(30)19-20-14(37-20)5-6-18(32)38-16-9-17-29(12-36-29)27(16,4)28(8-7-25(2)21(40-25)22(28)39-17)11-35-24(33)23-26(3,41-23)15(31)10-34-19/h5-6,13-17,19-23,30-31H,7-12H2,1-4H3/b6-5+/t13?,14?,15?,16-,17-,19?,20?,21-,22-,23-,25+,26?,27-,28+,29-/m0/s1 |
| InChIKey | KEVCNYOYDUKDKK-JMJXJXJFSA-N |
| Mol Weight | 578.6 g/mol |
| Molecular Formula | C29H38O12 |
| Exact Mass | 578.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNg7D0mWDyj |
|---|---|
| Name | 7'.alpha.,8'.alpha.-Epoxy-baccharinoid-B5 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H38O12 |
| InChI | InChI=1S/C29H38O12/c1-13(30)19-20-14(37-20)5-6-18(32)38-16-9-17-29(12-36-29)27(16,4)28(8-7-25(2)21(40-25)22(28)39-17)11-35-24(33)23-26(3,41-23)15(31)10-34-19/h5-6,13-17,19-23,30-31H,7-12H2,1-4H3/b6-5+/t13?,14?,15?,16-,17-,19?,20?,21-,22-,23-,25+,26?,27-,28+,29-/m0/s1 |
| InChIKey | KEVCNYOYDUKDKK-JMJXJXJFSA-N |
| Instrument Name | SF = 400 MHz |
| Literature Reference | J. Org. Chem. 53, 1918 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |