| SpectraBase Compound ID | 3w6N4K90vu4 |
|---|---|
| InChI | InChI=1S/C28H48O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-25,29-32H,3,7-15H2,1-2,4-6H3/t18-,19+,20?,21?,22?,23?,24+,25-,26-,27+,28+/m1/s1 |
| InChIKey | CXPIFTPKWGXGCI-SKYWSUJWSA-N |
| Mol Weight | 448.7 g/mol |
| Molecular Formula | C28H48O4 |
| Exact Mass | 448.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUa0ytXWpDh |
|---|---|
| Name | NUMERSTEROL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H48O4 |
| InChI | InChI=1S/C28H48O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-25,29-32H,3,7-15H2,1-2,4-6H3/t18-,19+,20?,21?,22?,23?,24+,25-,26-,27+,28+/m1/s1 |
| InChIKey | CXPIFTPKWGXGCI-SKYWSUJWSA-N |
| Literature Reference Author | J.H.SHEU,K.C.CHANG,C.Y.DUH |
| Literature Reference Citation | J.NAT.PROD.,63,149(2000) |
| Literature Reference DOI | 10.1021/np9903954 |
| Molecular Weight | 448.687 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU1774 |