| SpectraBase Compound ID | 3da8CqzqBjl |
|---|---|
| InChI | InChI=1S/C29H46O6/c1-17-9-10-28(34-16-17)18(2)29(31)24(35-28)14-22-20-8-7-19-15-27(32-5,33-6)12-11-25(19,3)21(20)13-23(30)26(22,29)4/h17-22,24,31H,7-16H2,1-6H3/t17-,18-,19-,20-,21+,22+,24+,25+,26-,28-,29-/m1/s1 |
| InChIKey | FJZMHTUXQXEAPK-RSLKRIGASA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C29H46O6 |
| Exact Mass | 490.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25FPgsO5fZk |
|---|---|
| Name | ASPARACOSIN-B;(25R)-3,3-DIMETHOXY-17-ALPHA-HYDROXYSPIROSTAN-3-AL-12-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O6 |
| InChI | InChI=1S/C29H46O6/c1-17-9-10-28(34-16-17)18(2)29(31)24(35-28)14-22-20-8-7-19-15-27(32-5,33-6)12-11-25(19,3)21(20)13-23(30)26(22,29)4/h17-22,24,31H,7-16H2,1-6H3/t17-,18-,19-,20-,21+,22+,24+,25+,26-,28-,29-/m1/s1 |
| InChIKey | FJZMHTUXQXEAPK-RSLKRIGASA-N |
| Literature Reference Author | H.J.ZHANG,K.SYDARA,G.T.TAN,C.MA,B.SOUTHAVONG,D.D.SOEJARTO,J. M.PEZZUTO,H.H.S.FONG |
| Literature Reference Citation | J.NAT.PROD.,67,194(2004) |
| Literature Reference DOI | 10.1021/np030370b |
| Molecular Weight | 490.681 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP3709 |