| SpectraBase Compound ID | 9LgWb3Ncx19 |
|---|---|
| InChI | InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1 |
| InChIKey | IDGXIXSKISLYAC-WNTKNEGGSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C30H46O6 |
| Exact Mass | 502.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8hcCgltSxGS |
|---|---|
| Name | 2-BETA,3-BETA-DIHYDROXY-OLEAN-12-EN-23-ALPHA,28-DIOIC_ACID;MEDICAGENIC_ACID |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O6 |
| InChI | InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1 |
| InChIKey | IDGXIXSKISLYAC-WNTKNEGGSA-N |
| Literature Reference Author | Y.SHAO,B.ZHOU,K.MA,H.WU,L.LIN,G.A.CORDELL |
| Literature Reference Citation | PHYTOCHEM.,39,875(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00016-Z |
| Molecular Weight | 502.692 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9071 |