| SpectraBase Compound ID | 2kbYUBxmWoJ |
|---|---|
| InChI | InChI=1S/C29H38O12/c1-13(30)38-18(12-19(32)37-7)27(5)15-8-9-26(4)21(14-10-20(33)39-23(14)34)40-24(35)22-29(26,41-22)28(15,6)17(31)11-16(27)25(2,3)36/h10,15-16,18,20-22,33,36H,8-9,11-12H2,1-7H3/t15-,16+,18-,20?,21+,22-,26+,27-,28+,29-/m1/s1 |
| InChIKey | TVFBTTNICRJUHG-LMWVZSFZSA-N |
| Mol Weight | 578.6 g/mol |
| Molecular Formula | C29H38O12 |
| Exact Mass | 578.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1VN4X4CZk72 |
|---|---|
| Name | 3-O-METHYL-21,23-DIHYDRO-23-HYDROXY-21-OXONOMILINIC_ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O12 |
| InChI | InChI=1S/C29H38O12/c1-13(30)38-18(12-19(32)37-7)27(5)15-8-9-26(4)21(14-10-20(33)39-23(14)34)40-24(35)22-29(26,41-22)28(15,6)17(31)11-16(27)25(2,3)36/h10,15-16,18,20-22,33,36H,8-9,11-12H2,1-7H3/t15-,16+,18-,20?,21+,22-,26+,27-,28+,29-/m1/s1 |
| InChIKey | TVFBTTNICRJUHG-LMWVZSFZSA-N |
| Literature Reference Author | H.NAKAGAWA,Y.TAKAISHI,N.TANAKA,K.TSUCHIYA,H.SHIBATA,T.HIGUTI |
| Literature Reference Citation | J.NAT.PROD.,69,1177(2006) |
| Literature Reference DOI | 10.1021/np060217s |
| Molecular Weight | 578.614 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ15566 |