| SpectraBase Compound ID | EtEpDXDTAb6 |
|---|---|
| InChI | InChI=1S/C25H34O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h5,10-11,13,15-16,19-22H,6-9,12,14H2,1-4H3/b10-5+/t16?,19-,20+,21-,22-,24-,25+/m0/s1 |
| InChIKey | RRYFVLJZIKHVMF-XYFDZRSGSA-N |
| Mol Weight | 382.5 g/mol |
| Molecular Formula | C25H34O3 |
| Exact Mass | 382.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8HHGJoQ7sjC |
|---|---|
| Name | METHYL-3-OXOCHOLA-4,22-DIEN-24-OATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H34O3 |
| InChI | InChI=1S/C25H34O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h5,10-11,13,15-16,19-22H,6-9,12,14H2,1-4H3/b10-5+/t16?,19-,20+,21-,22-,24-,25+/m0/s1 |
| InChIKey | RRYFVLJZIKHVMF-XYFDZRSGSA-N |
| Literature Reference Author | Y.TOMONO,H.HIROTA,Y.IMAHARA,N.FUSETANI |
| Literature Reference Citation | J.NAT.PROD.,62,1538(1999) |
| Literature Reference DOI | 10.1021/np990246l |
| Molecular Weight | 382.543 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG1846 |