| SpectraBase Compound ID | JUIIEJHXMyp |
|---|---|
| InChI | InChI=1S/C19H28O4/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/h12,14,21H,5-10H2,1-4H3,(H,22,23)/t12-,14-,17-,18+,19-/m0/s1 |
| InChIKey | LPHDABIHBXFBNX-KRJMWWHISA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2caPXfrPVlO |
|---|---|
| Name | (ent)-16-nor-5.alpha.,13.alpha.-Dimethyl-3-hydroxy-2-oxodolabra-3-en-15-oic Acid |
| Alternate Name(s) | (2S,4aS,4bR,8aS,10aS)-7-hydroxy-2,4a,8,8a-tetramethyl-6-oxo-1,3,4,4b,5,9,10,10a-octahydrophenanthrene-2-carboxylic acid (2S,4aS,4bR,8aS,10aS)-2,4a,8,8a-tetramethyl-7-oxidanyl-6-oxidanylidene-1,3,4,4b,5,9,10,10a-octahydrophenanthrene-2-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/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/h12,14,21H,5-10H2,1-4H3,(H,22,23)/t12-,14-,17-,18+,19-/m0/s1 |
| InChIKey | LPHDABIHBXFBNX-KRJMWWHISA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | OC([C@@]1(C[C@]2([C@@]([C@@]3([C@@](C(=C(C(C3)=O)O)C)(CC2)C)[H])(CC1)C)[H])C)=O |
| SPLASH | splash10-059i-0907000000-17a805ec2104d712bc02 |
| Source of Spectrum | G4-69-336-7 |
| Wiley ID | 1694281 |