| SpectraBase Compound ID | B6Tq4x4GhGU |
|---|---|
| InChI | InChI=1S/C33H52O4/c1-20-14-15-33(28(35)36-9)19-18-31(7)25-12-10-23-24(11-13-26(29(23,4)5)37-22(3)34)30(25,6)16-17-32(31,8)27(33)21(20)2/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24-,25?,26+,27+,30+,31-,32+,33+/m1/s1 |
| InChIKey | NTQHVXRFRLJATH-OLIZYQOTSA-N |
| Mol Weight | 512.8 g/mol |
| Molecular Formula | C33H52O4 |
| Exact Mass | 512.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3FrSgK3x0kP |
|---|---|
| Name | 3-O-ACETYL-RHOIPTELIC-ACID-METHYLESTER;METHYL-3-BETA-O-ACETYL-5-URSEN-28-OATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O4 |
| InChI | InChI=1S/C33H52O4/c1-20-14-15-33(28(35)36-9)19-18-31(7)25-12-10-23-24(11-13-26(29(23,4)5)37-22(3)34)30(25,6)16-17-32(31,8)27(33)21(20)2/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24-,25?,26+,27+,30+,31-,32+,33+/m1/s1 |
| InChIKey | NTQHVXRFRLJATH-OLIZYQOTSA-N |
| Literature Reference Author | Z.H.JIANG,C.INUTSUKA,T.TANAKA,I.KOUNO |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,512(1998) |
| Literature Reference DOI | 10.1248/cpb.46.512 |
| Molecular Weight | 512.773 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS6280 |