| SpectraBase Compound ID | 5kVjo2cmkOD |
|---|---|
| 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-XZUIVWISSA-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 | Ip474Jnbmoq |
|---|---|
| Name | CARPESTEROL |
| CAS Registry Number | 31077-78-8 |
| 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-XZUIVWISSA-N |
| Literature Reference Author | K.H.GAN,C.N.LIN,S.J.WON |
| Literature Reference Citation | J.NAT.PROD.,56,15(1993) |
| Literature Reference DOI | 10.1021/np50091a003 |
| Molecular Weight | 562.833 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS901 |