| SpectraBase Compound ID | B9j8IiwcqVN |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-19(2)20-10-13-30(7)23(28(20,5)12-11-24(31)32)9-8-21-22-18-27(4,25(33)34)15-14-26(22,3)16-17-29(21,30)6/h8,20,22-23H,1,9-18H2,2-7H3,(H,31,32)(H,33,34)/t20-,22-,23+,26+,27+,28-,29+,30+/m0/s1 |
| InChIKey | ASOUKQDZWGOCBR-TYAUOZCYSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JqNiu8KvahP |
|---|---|
| Name | 3,4-Seco-4(23),12-oleandiene-3,29-dioic acid |
| Appearance | White amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-19(2)20-10-13-30(7)23(28(20,5)12-11-24(31)32)9-8-21-22-18-27(4,25(33)34)15-14-26(22,3)16-17-29(21,30)6/h8,20,22-23H,1,9-18H2,2-7H3,(H,31,32)(H,33,34)/t20-,22-,23+,26+,27+,28-,29+,30+/m0/s1 |
| InChIKey | ASOUKQDZWGOCBR-TYAUOZCYSA-N |
| Instrument Name | Waters GCT Premier |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900597w |
| Molecular Weight | 470.694 g/mol |
| Optical Rotation | [a]D20 = +60 (c = 0.12, CHCl3) |
| Reported Formula | C30H46O4 |
| SMILES | OC([C@]1(C[C@@]2([C@@](CC[C@@]3(C2=CC[C@]2([C@]3(CC[C@]([C@@]2(CCC(O)=O)C)(C(C)=C)[H])C)[H])C)(CC1)C)[H])C)=O |
| SPLASH | splash10-0002-0090000000-6bc8dcf8d835cf8f34b7 |
| Source of Spectrum | G4-73-1155-5 |
| Synonyms | 20-epikoetjapic acid |
| Wiley ID | 1848978 |