| SpectraBase Compound ID | GJ2oxYvGvZm |
|---|---|
| InChI | InChI=1S/C28H46O4/c1-16(2)17(3)13-24(31)28(6,32)25-23(30)15-22-20-8-7-18-14-19(29)9-11-26(18,4)21(20)10-12-27(22,25)5/h7,16,19-25,29-32H,3,8-15H2,1-2,4-6H3/t19-,20-,21+,22+,23+,24?,25+,26+,27+,28-/m1/s1 |
| InChIKey | ABAPYVVRZZEXPC-CYAPPTTPSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C28H46O4 |
| Exact Mass | 446.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2KIMogW4Vhb |
|---|---|
| Name | 3-ALPHA,16-BETA,20,22-TETRAHYDROXY-ERGOSTA-5,24-(28)-DIENE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46O4 |
| InChI | InChI=1S/C28H46O4/c1-16(2)17(3)13-24(31)28(6,32)25-23(30)15-22-20-8-7-18-14-19(29)9-11-26(18,4)21(20)10-12-27(22,25)5/h7,16,19-25,29-32H,3,8-15H2,1-2,4-6H3/t19-,20-,21+,22+,23+,24?,25+,26+,27+,28-/m1/s1 |
| InChIKey | ABAPYVVRZZEXPC-CYAPPTTPSA-N |
| Literature Reference Author | Q.G.TAN,X.N.LI,H.CHEN,T.FENG,X.H.CAI,X.D.LUO |
| Literature Reference Citation | J.NAT.PROD.,73,693(2010) |
| Literature Reference DOI | 10.1021/np1000472 |
| Molecular Weight | 446.671 g/mol |
| Sample ID | 35343 |
| Solvent | DMSO-D6 |