| SpectraBase Compound ID | 3q2dQ0jZrPN |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-11-15(21)13(20)9-14-18(11,3)6-5-12-10-17(2,16(22)23)7-8-19(12,14)4/h9,12,14,20H,1,5-8,10H2,2-4H3,(H,22,23)/t12-,14-,17-,18+,19-/m0/s1 |
| InChIKey | CVAILKMOFONEDU-KRJMWWHISA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FRJeGORM9ht |
|---|---|
| Name | (ent)-16-nor-5.alpha.,13.alpha.-Dimethyl-2-hydroxy-3-oxodolabra-1,4(18)-dien-15-oic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-11-15(21)13(20)9-14-18(11,3)6-5-12-10-17(2,16(22)23)7-8-19(12,14)4/h9,12,14,20H,1,5-8,10H2,2-4H3,(H,22,23)/t12-,14-,17-,18+,19-/m0/s1 |
| InChIKey | CVAILKMOFONEDU-KRJMWWHISA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | OC([C@]1(CC[C@]2([C@@](CC[C@]3([C@@]2(C=C(C(C3=C)=O)O)[H])C)(C1)[H])C)C)=O |
| SPLASH | splash10-0f79-0901000000-c96257889462c750b20a |
| Source of Spectrum | G4-69-336-6 |
| Synonyms | (2S,4aS,4bR,8aS,10aS)-6-hydroxy-2,4a,8a-trimethyl-8-methylidene-7-oxo-3,4,4b,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid (2S,4aS,4bR,8aS,10aS)-6-hydroxy-2,4a,8a-trimethyl-8-methylene-7-oxo-3,4,4b,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid (2S,4aS,4bR,8aS,10aS)-2,4a,8a-trimethyl-8-methylidene-6-oxidanyl-7-oxidanylidene-3,4,4b,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid |
| Wiley ID | 1694283 |