| SpectraBase Compound ID | 2m9yD74f3oT |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22-,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | JZVFJDZBLUFKCA-ULSPPMQKSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DHaAY6QW3TC |
|---|---|
| Name | 5-ALPHA-STIGMASTA-7,22-DIEN-3-BETA-OL;CHONDRILLASTEROL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22-,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | JZVFJDZBLUFKCA-ULSPPMQKSA-N |
| Literature Reference Author | M.JUNKUSZEW,W.OLESZEK,M.JURZYSTA,S.PIANCENTE,C.PIZZA |
| Literature Reference Citation | PHYTOCHEM.,49,195(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00904-7 |
| Molecular Weight | 412.700 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU64 |