| SpectraBase Compound ID | 7XMmVEOfhos |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h11,19-22,24-25,31H,8-10,12-18H2,1-7H3,(H,32,33)/t19-,20?,21-,22-,24-,25?,28+,29-,30+/m0/s1 |
| InChIKey | OUGGEWWJJCCAGA-BMZMTQAESA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | En159V1rqcr |
|---|---|
| Name | 3-XI-HYDROXY-TIRUCALL-7-EN-27-OIC-ACID |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h11,19-22,24-25,31H,8-10,12-18H2,1-7H3,(H,32,33)/t19-,20?,21-,22-,24-,25?,28+,29-,30+/m0/s1 |
| InChIKey | OUGGEWWJJCCAGA-BMZMTQAESA-N |
| Literature Reference Author | R.R.MORAIS,T.A.D.COSTA-SILVA,A.G.TEMPONE,S.E.T.BORBOREMA,M.T .SCOTTI,R.M.F.D.SOUS |
| Literature Reference Citation | MOLECULES,19,5761(2014) |
| Literature Reference DOI | 10.3390/molecules19055761 |
| Molecular Weight | 458.725 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR14428 |