| SpectraBase Compound ID | 5CDQopXHPbX |
|---|---|
| InChI | InChI=1S/C30H49BrO3/c1-17(2)18(3)28(34-20(5)32)27(31)19(4)22-11-12-23-21-16-26(33)25-10-8-9-14-29(25,6)24(21)13-15-30(22,23)7/h17-19,21-25,27-28H,8-16H2,1-7H3/t18-,19+,21?,22?,23?,24?,25-,27-,28+,29-,30-/m0/s1 |
| InChIKey | PWUHAAPSBAOJAY-LBNFQGPESA-N |
| Mol Weight | 537.6 g/mol |
| Molecular Formula | C30H49BrO3 |
| Exact Mass | 536.286508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5bSryGk57ed |
|---|---|
| Name | (22R,23S)-22-BROMO-23-HYDROXY-5ALPHA-ERGOSTAN-6-ONE, 23-O-ACETATE |
| Comments | S |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H49BrO3 |
| InChI | InChI=1S/C30H49BrO3/c1-17(2)18(3)28(34-20(5)32)27(31)19(4)22-11-12-23-21-16-26(33)25-10-8-9-14-29(25,6)24(21)13-15-30(22,23)7/h17-19,21-25,27-28H,8-16H2,1-7H3/t18-,19+,21?,22?,23?,24?,25-,27-,28+,29-,30-/m0/s1 |
| InChIKey | PWUHAAPSBAOJAY-LBNFQGPESA-N |
| Instrument Name | Varian XL-200 |
| Literature Reference | V.CERNY, M.BUDESINSKY (1990) Coll.Czech.Chem.Comm.: v.55, N11, 2738-2755. |
| NMR Standard | CDCL3 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |