| SpectraBase Compound ID | SOPnqOQieP |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-12(8-18(23)24)16(22)10-20(5)13(2)6-7-19(4)14(3)15(11-21)9-17(19)20/h11,13,17H,1,6-10H2,2-5H3,(H,23,24)/t13-,17+,19+,20+/m1/s1 |
| InChIKey | GEYOTLVJLLCPMD-IKTSWFPUSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7cRQ4OqrpGq |
|---|---|
| Name | Pentandranoic acid A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-12(8-18(23)24)16(22)10-20(5)13(2)6-7-19(4)14(3)15(11-21)9-17(19)20/h11,13,17H,1,6-10H2,2-5H3,(H,23,24)/t13-,17+,19+,20+/m1/s1 |
| InChIKey | GEYOTLVJLLCPMD-IKTSWFPUSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | OC(CC(C(C[C@@]1([C@@]2([C@](C(=C(C=O)C2)C)(CC[C@]1(C)[H])C)[H])C)=O)=C)=O |
| SPLASH | splash10-0gw0-0943000000-f5815bee327a3b0b59ad |
| Source of Spectrum | G4-63-1064-1 |
| Synonyms | 2-Formyl-12-oxo-A-nor-cleroda-2,13(16)-dien-15-oic Acid 3-{[(3aR,6R,7S,7aR)-2-formyl-3,3a,6,7-tetramethyl-3a,4,5,6,7,7a-hexahydro-1H-inden-7-yl]acetyl}-3-butenoic acid 5-[(3aR,4S,5R,7aR)-2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl]-3-methylene-4-oxopentanoic acid 5-[(3aR,4S,5R,7aR)-2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl]-3-methylidene-4-oxopentanoic acid 5-[(3aR,4S,5R,7aR)-2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl]-3-methylene-4-oxo-pentanoic acid 5-[(3aR,4S,5R,7aR)-2-methanoyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl]-3-methylidene-4-oxidanylidene-pentanoic acid |
| Wiley ID | 1608551 |