| SpectraBase Compound ID | Kkg0XkJEL93 |
|---|---|
| InChI | InChI=1S/C31H48O6/c1-26(2)13-15-31(25(36)37-8)16-14-29(6)19(20(31)17-26)9-10-22-28(5,18-23(32)33)21(11-12-30(22,29)7)27(3,4)24(34)35/h9,20-22H,10-18H2,1-8H3,(H,32,33)(H,34,35)/t20-,21-,22+,28-,29+,30+,31-/m0/s1 |
| InChIKey | MYGSWKULZPWUCQ-PONBFEOBSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C31H48O6 |
| Exact Mass | 516.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 50sERVxFES0 |
|---|---|
| Name | 2,3-SECO-OLEAN-12-ENE-2,3,28-TRIOIC-ACID-28-METHYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O6 |
| InChI | InChI=1S/C31H48O6/c1-26(2)13-15-31(25(36)37-8)16-14-29(6)19(20(31)17-26)9-10-22-28(5,18-23(32)33)21(11-12-30(22,29)7)27(3,4)24(34)35/h9,20-22H,10-18H2,1-8H3,(H,32,33)(H,34,35)/t20-,21-,22+,28-,29+,30+,31-/m0/s1 |
| InChIKey | MYGSWKULZPWUCQ-PONBFEOBSA-N |
| Literature Reference Author | R.A.S.MACAHIG,K.MATSUNAMI,H.OTSUKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,397(2011) |
| Literature Reference DOI | 10.1248/cpb.59.397 |
| Molecular Weight | 516.719 g/mol |
| Sample ID | 2794 |
| Solvent | DMSO-D6 |