| SpectraBase Compound ID | 12Dj5GPwFCI |
|---|---|
| InChI | InChI=1S/C35H56O6/c1-10-20(2)29(40)41-28-27(39)35(19-36)22(17-30(28,3)4)21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)18-26(35)38/h10-11,22-28,36-39H,12-19H2,1-9H3/b20-10-/t22-,23?,24?,25?,26-,27-,28?,32?,33?,34+,35-/m1/s1 |
| InChIKey | SJSCBAFROHXGCX-DHSXGUPYSA-N |
| Mol Weight | 572.8 g/mol |
| Molecular Formula | C35H56O6 |
| Exact Mass | 572.40769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHkPSiKv6nr |
|---|---|
| Name | Barringtogenol-C21-angelate |
| CAS Registry Number | 20089-98-9 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H56O6 |
| InChI | InChI=1S/C35H56O6/c1-10-20(2)29(40)41-28-27(39)35(19-36)22(17-30(28,3)4)21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)18-26(35)38/h10-11,22-28,36-39H,12-19H2,1-9H3/b20-10-/t22-,23?,24?,25?,26-,27-,28?,32?,33?,34+,35-/m1/s1 |
| InChIKey | SJSCBAFROHXGCX-DHSXGUPYSA-N |
| Instrument Name | SF = 250 MHz |
| Literature Reference | J. Nat. Products 49, 650 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |