| SpectraBase Compound ID | 1jE1cUni4Iq |
|---|---|
| InChI | InChI=1S/C32H50O7/c1-18-11-14-32(26(36)39-8)16-15-28(3)19(23(32)31(18,6)37)9-10-21-27(2)17-20(33)24(34)30(5,25(35)38-7)22(27)12-13-29(21,28)4/h9,18,20-24,33-34,37H,10-17H2,1-8H3/t18-,20-,21-,22-,23-,24-,27-,28-,29-,30+,31-,32+/m1/s1 |
| InChIKey | QEQHVGFOGHYBSV-QFPNOJIMSA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C32H50O7 |
| Exact Mass | 546.355654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5hcmE3G08Zj |
|---|---|
| Name | 2-ALPHA,3-ALPHA,19-ALPHA-TRIHYDROXY-URS-12-ENE-24,28-DIOIC-ACID-METHYLESTER |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O7 |
| InChI | InChI=1S/C32H50O7/c1-18-11-14-32(26(36)39-8)16-15-28(3)19(23(32)31(18,6)37)9-10-21-27(2)17-20(33)24(34)30(5,25(35)38-7)22(27)12-13-29(21,28)4/h9,18,20-24,33-34,37H,10-17H2,1-8H3/t18-,20-,21-,22-,23-,24-,27-,28-,29-,30+,31-,32+/m1/s1 |
| InChIKey | QEQHVGFOGHYBSV-QFPNOJIMSA-N |
| Literature Reference Author | K.OHTANI,C.MIYAJIMA,T.TAKAHASI,R.KASAI,O.TANAKA,D.R.HAHN,N.N ARUHASHI |
| Literature Reference Citation | PHYTOCHEM.,29,3275(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80199-Q |
| Molecular Weight | 546.745 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWKP6808 |