| SpectraBase Compound ID | JIieY6NBRwt |
|---|---|
| InChI | InChI=1S/C26H40O5/c1-4-15-6-8-19-18-7-5-16-13-17(31-24-23(29)22(28)21(27)14-30-24)9-11-26(16,3)20(18)10-12-25(15,19)2/h4-5,15,17-24,27-29H,1,6-14H2,2-3H3/t15-,17-,18-,19-,20-,21+,22-,23+,24-,25+,26-/m0/s1 |
| InChIKey | CJBWTAWVUJOREK-AVTIRIIJSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C26H40O5 |
| Exact Mass | 432.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4n3Weza1bX1 |
|---|---|
| Name | 3-BETA-PREGNA-5,20-DIENE-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40O5 |
| InChI | InChI=1S/C26H40O5/c1-4-15-6-8-19-18-7-5-16-13-17(31-24-23(29)22(28)21(27)14-30-24)9-11-26(16,3)20(18)10-12-25(15,19)2/h4-5,15,17-24,27-29H,1,6-14H2,2-3H3/t15-,17-,18-,19-,20-,21+,22-,23+,24-,25+,26-/m0/s1 |
| InChIKey | CJBWTAWVUJOREK-AVTIRIIJSA-N |
| Literature Reference Author | Y.P.SHI,A.D.RODRIGUEZ,C.L.BARNES,J.A.SANCHEZ,R.G.RAPTIS,P.BA RAN |
| Literature Reference Citation | J.NAT.PROD.,65,1232(2002) |
| Literature Reference DOI | 10.1021/np0200820 |
| Molecular Weight | 432.601 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI5140 |