| SpectraBase Compound ID | CIGqX89oI81 |
|---|---|
| InChI | InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19?,20?,21?,22-,23-,24-,27?,28?,29+,30-/m1/s1 |
| InChIKey | AYDKOFQQBHRXEW-SQTPCNRWSA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C30H50O5 |
| Exact Mass | 490.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLiA2qcptFk |
|---|---|
| Name | Barringtogenol-C |
| CAS Registry Number | 13844-01-4 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H50O5 |
| InChI | InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19?,20?,21?,22-,23-,24-,27?,28?,29+,30-/m1/s1 |
| InChIKey | AYDKOFQQBHRXEW-SQTPCNRWSA-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 |