| SpectraBase Compound ID | 8FUCrXJ0H4r |
|---|---|
| InChI | InChI=1S/C20H32O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13-15,21,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,14+,15+,18+,19+,20+/m0/s1 |
| InChIKey | RSKXVFWGGCGVMM-AZBDUMLBSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C20H32O5 |
| Exact Mass | 352.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2KuU4ADXrY0 |
|---|---|
| Name | 7.alpha.,13.beta.,15-Trihydroxyabiet-8(14)-en-18-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O5 |
| InChI | InChI=1S/C20H32O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13-15,21,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,14+,15+,18+,19+,20+/m0/s1 |
| InChIKey | RSKXVFWGGCGVMM-AZBDUMLBSA-N |
| Molecular Weight | 352.471 g/mol |
| SMILES | OC([C@]1([C@]2([C@@]([C@@]3(C(=C[C@](CC3)(C(O)(C)C)O)[C@@](C2)(O)[H])[H])(CCC1)C)[H])C)=O |
| SPLASH | splash10-016r-0395000000-9f1bee6ffd6ca77c9ad8 |
| Source of Spectrum | I-78-38-3 |
| Synonyms | (1R,4aR,4bR,7R,9R,10aR)-7,9-Dihydroxy-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthrene-1-carboxylic acid 4-(Hydrocarbonyl)-7,13-dihydroxy-4,10-dimethyl-13-(1'-hydroxy-1'-methylethyl)-octahydrophenanthrene (1R,4aR,4bR,7R,9R,10aR)-7,9-dihydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid (1R,4aR,4bR,7R,9R,10aR)-1,4a-dimethyl-7,9-bis(oxidanyl)-7-(2-oxidanylpropan-2-yl)-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid |
| Wiley ID | 812678 |