| SpectraBase Compound ID | HvMB9xjeB5n |
|---|---|
| InChI | InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28?,29?,30?,31+,33-,34+,36+,37+/m0/s1 |
| InChIKey | PQWWCRLPWBAFIP-XXNJRBEKSA-N |
| Mol Weight | 562.8 g/mol |
| Molecular Formula | C37H54O4 |
| Exact Mass | 562.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jyfyn7JNirW |
|---|---|
| Name | CARPESTEROL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H54O4 |
| InChI | InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28?,29?,30?,31+,33-,34+,36+,37+/m0/s1 |
| InChIKey | PQWWCRLPWBAFIP-XXNJRBEKSA-N |
| Literature Reference Author | A.K.CHAKRAVARTY,S.MUKHOPADHYAY,S.SAHA,S.C.PAKRASHI |
| Literature Reference Citation | PHYTOCHEM.,41,935(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00671-0 |
| Molecular Weight | 562.833 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4153 |