| SpectraBase Compound ID | 4MJDz3f0MyO |
|---|---|
| InChI | InChI=1S/C29H48O2/c1-18(30)19-10-13-26(4)16-17-28(6)20(24(19)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h19-24,31H,8-17H2,1-7H3/t19?,20-,21?,22+,23?,24+,26-,27?,28+,29+/m0/s1 |
| InChIKey | RCXANGLYPFOYKX-OIRMJORQSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C29H48O2 |
| Exact Mass | 428.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOYUDmpvV2K |
|---|---|
| Name | 3.beta.-Hydroxy-30-norlupan-20-one |
| CAS Registry Number | 19891-85-1 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H48O2 |
| InChI | InChI=1S/C29H48O2/c1-18(30)19-10-13-26(4)16-17-28(6)20(24(19)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h19-24,31H,8-17H2,1-7H3/t19?,20-,21?,22+,23?,24+,26-,27?,28+,29+/m0/s1 |
| InChIKey | RCXANGLYPFOYKX-OIRMJORQSA-N |
| Instrument Name | SF = 300 MHz |
| Literature Reference | J. Nat. Products 49, 524 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |