| SpectraBase Compound ID | 5dUcYrC725N |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-13(2)15-11-14-7-8-18-20(3,4)9-6-10-21(18,19(23)24-5)16(14)12-17(15)22/h11-13,18,22H,6-10H2,1-5H3/t18-,21-/m0/s1 |
| InChIKey | CSHSJHHSQAKYJV-RXVVDRJESA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BQIE9d6ddC9 |
|---|---|
| Name | (4aR,10aS)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid methyl ester |
| Alternate Name(s) | (4aR,10aS)-6-hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid methyl ester Methyl (4aR,10aS)-1,1-dimethyl-6-oxidanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate Methyl (4aR,10aS)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate Methyl (4aR,10aS)-6-hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-13(2)15-11-14-7-8-18-20(3,4)9-6-10-21(18,19(23)24-5)16(14)12-17(15)22/h11-13,18,22H,6-10H2,1-5H3/t18-,21-/m0/s1 |
| InChIKey | CSHSJHHSQAKYJV-RXVVDRJESA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | Oc1c(C(C)C)cc2c([C@@]3([C@](C(C)(C)CCC3)(CC2)[H])C(=O)OC)c1 |
| SPLASH | splash10-00e9-0493000000-5417fbd9724d0a28e292 |
| Source of Spectrum | F-42-5537-17 |
| Wiley ID | 1328273 |