| SpectraBase Compound ID | H6bBafWX3Nc |
|---|---|
| InChI | InChI=1S/C32H48O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,22-25,36H,1,10-18H2,2-8H3,(H,34,35)/t22-,23+,24+,25+,28-,29+,30+,31+,32-/m0/s1 |
| InChIKey | NKDUZGFFFOYOCH-BITFSWCUSA-N |
| Mol Weight | 512.7 g/mol |
| Molecular Formula | C32H48O5 |
| Exact Mass | 512.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Ms4MOuKyD8 |
|---|---|
| Name | BALOIC_ACID;3-ALPHA-ACETOXY-19-ALPHA-HYDROXY-URSA-12,20-(30)-DIEN-28-OIC_ACID |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48O5 |
| InChI | InChI=1S/C32H48O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,22-25,36H,1,10-18H2,2-8H3,(H,34,35)/t22-,23+,24+,25+,28-,29+,30+,31+,32-/m0/s1 |
| InChIKey | NKDUZGFFFOYOCH-BITFSWCUSA-N |
| Literature Reference Author | B.M.FRAGA,C.E.DIAZ,N.QUINTANA |
| Literature Reference Citation | J.NAT.PROD.,69,1092(2006) |
| Literature Reference DOI | 10.1021/np0680026 |
| Molecular Weight | 512.730 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ15662 |