| SpectraBase Compound ID | LlY2kvzagb |
|---|---|
| InChI | InChI=1S/C27H40O9/c1-11-5-8-26(35-10-11)12(2)17-15(36-26)9-14-16-13(6-7-24(14,17)3)25(4)21(31)19(29)20(30)23(33)27(25,34)22(32)18(16)28/h12-21,23,28-31,33-34H,1,5-10H2,2-4H3/t12-,13-,14-,15-,16+,17-,18-,19+,20-,21+,23-,24-,25-,26+,27-/m0/s1 |
| InChIKey | PCRIYRYJISADPS-DNSJZUMASA-N |
| Mol Weight | 508.6 g/mol |
| Molecular Formula | C27H40O9 |
| Exact Mass | 508.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DVjS0MMHnLc |
|---|---|
| Name | (20S,22R)-SPIROST-25(27)-ENE-1-BETA,2-BETA,3-BETA,4-BETA,5-BETA,7-ALPHA-HEXAOL-6-ONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O9 |
| InChI | InChI=1S/C27H40O9/c1-11-5-8-26(35-10-11)12(2)17-15(36-26)9-14-16-13(6-7-24(14,17)3)25(4)21(31)19(29)20(30)23(33)27(25,34)22(32)18(16)28/h12-21,23,28-31,33-34H,1,5-10H2,2-4H3/t12-,13-,14-,15-,16+,17-,18-,19+,20-,21+,23-,24-,25-,26+,27-/m0/s1 |
| InChIKey | PCRIYRYJISADPS-DNSJZUMASA-N |
| Literature Reference Author | W.B.PAN,F.R.CHANG,Y.C.WU |
| Literature Reference Citation | J.NAT.PROD.,63,861(2000) |
| Literature Reference DOI | 10.1021/np990337i |
| Molecular Weight | 508.609 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU8506 |