| SpectraBase Compound ID | 9mRsfvaINZJ |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-19-10-15-31(25(34)36-7)17-16-28(4)20(24(31)30(19,6)35)8-9-22-26(2)13-12-23(33)27(3,18-32)21(26)11-14-29(22,28)5/h8,19,21-24,32-33,35H,9-18H2,1-7H3/t19-,21-,22-,23+,24-,26+,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | VZCSIFKBQLIMDW-RYHTXFDLSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E91Kv1bOBgZ |
|---|---|
| Name | METHYL-ROTUNDATE;METHYL-3-BETA,19-ALPHA,23-TRIHYDROXY-URS-12-EN-28-OATE |
| Compound Number | 231 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-19-10-15-31(25(34)36-7)17-16-28(4)20(24(31)30(19,6)35)8-9-22-26(2)13-12-23(33)27(3,18-32)21(26)11-14-29(22,28)5/h8,19,21-24,32-33,35H,9-18H2,1-7H3/t19-,21-,22-,23+,24-,26+,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | VZCSIFKBQLIMDW-RYHTXFDLSA-N |
| Literature Reference Author | S.B.MAHATO,A.P.KUNDU |
| Literature Reference Citation | PHYTOCHEM.,37,1517(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89569-2 |
| Molecular Weight | 502.735 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS5331 |