| SpectraBase Compound ID | CYJk5OPUjUP |
|---|---|
| InChI | InChI=1S/C33H56O3/c1-8-10-19-36-30-20-26-28-14-13-27(23(5)11-12-24(9-2)22(3)4)31(28,6)17-16-29(26)32(7)18-15-25(34)21-33(30,32)35/h11-12,20,22-25,27-30,34-35H,8-10,13-19,21H2,1-7H3/b12-11+/t23-,24-,25+,27-,28?,29?,30-,31-,32-,33+/m1/s1 |
| InChIKey | KMFGVJOTBJFKLG-LAOJTPRFSA-N |
| Mol Weight | 500.8 g/mol |
| Molecular Formula | C33H56O3 |
| Exact Mass | 500.422946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38gdWe9VtNi |
|---|---|
| Name | HOMAXISTEROL_A4;(22-E,24-R)-6-O-BUTYL-24-ETHYLCHOLESTA-7,22-DIENE-3-BETA,5-ALPHA,6-BETA-TRIOL |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H56O3 |
| InChI | InChI=1S/C33H56O3/c1-8-10-19-36-30-20-26-28-14-13-27(23(5)11-12-24(9-2)22(3)4)31(28,6)17-16-29(26)32(7)18-15-25(34)21-33(30,32)35/h11-12,20,22-25,27-30,34-35H,8-10,13-19,21H2,1-7H3/b12-11+/t23-,24-,25+,27-,28?,29?,30-,31-,32-,33+/m1/s1 |
| InChIKey | KMFGVJOTBJFKLG-LAOJTPRFSA-N |
| Literature Reference Author | T.A.MANSOOR,J.HONG,C.O.LEE,S.J.BAE,K.S.IM,J.H.JUNG |
| Literature Reference Citation | J.NAT.PROD.,68,331(2005) |
| Literature Reference DOI | 10.1021/np0496690 |
| Molecular Weight | 500.806 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ7681 |