| SpectraBase Compound ID | BwS9d5ZD6XE |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-12-13(10-18(24)25-5)6-7-14-19(12)15(22)11-16-20(2,3)17(23)8-9-21(14,16)4/h12-14,16-17,19,23H,6-11H2,1-5H3 |
| InChIKey | CCFHETNKPZXRKX-UHFFFAOYSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C21H34O4 |
| Exact Mass | 350.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | vr8Ebpy9va |
|---|---|
| Name | 2-Phenanthreneacetic acid, tetradecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-, methyl ester |
| CAS Registry Number | 57289-54-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-12-13(10-18(24)25-5)6-7-14-19(12)15(22)11-16-20(2,3)17(23)8-9-21(14,16)4/h12-14,16-17,19,23H,6-11H2,1-5H3 |
| InChIKey | CCFHETNKPZXRKX-UHFFFAOYSA-N |
| Molecular Weight | 350.499 g/mol |
| SMILES | OC1C(C2C(C)(C3C(C(C)C(CC3)CC(OC)=O)C(C2)=O)CC1)(C)C |
| SPLASH | splash10-01xx-8951000000-6864107b2c88dfb60e50 |
| Source of Spectrum | EP-7987-0-0 |
| Synonyms | Methyl (3-hydroxy-14-methyl-7-oxopodocarpan-13-yl)acetate 2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2,3,4,4a,5,6,7,8a,9,10a-decahydro-1H-phenanthren-2-yl)acetic acid methyl ester 2-(7-hydroxy-10-keto-1,4b,8,8-tetramethyl-2,3,4,4a,5,6,7,8a,9,10a-decahydro-1H-phenanthren-2-yl)acetic acid methyl ester Methyl 2-(1,4b,8,8-tetramethyl-7-oxidanyl-10-oxidanylidene-2,3,4,4a,5,6,7,8a,9,10a-decahydro-1H-phenanthren-2-yl)ethanoate Methyl 2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2,3,4,4a,5,6,7,8a,9,10a-decahydro-1H-phenanthren-2-yl)acetate |
| Wiley ID | 51978 |