| SpectraBase Compound ID | 30HKpfHcPzi |
|---|---|
| InChI | InChI=1S/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22?,23?,24-,27+,28-,29-,30+,31+/m0/s1 |
| InChIKey | APODVSVTRILENH-JEIBTANISA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C31H50O3 |
| Exact Mass | 470.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6vq33LsHB4N |
|---|---|
| Name | 11-Deoxoglycyrrhetic acid methyl ester |
| Alternate Name(s) | methyl (2S,4aS,6aS,6bR,10S,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate methyl (2S,4aS,6aS,6bR,10S,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O3 |
| InChI | InChI=1S/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22?,23?,24-,27+,28-,29-,30+,31+/m0/s1 |
| InChIKey | APODVSVTRILENH-JEIBTANISA-N |
| Molecular Weight | 470.738 g/mol |
| SMILES | O[C@@]1(C(C2CC[C@]3([C@]4(C([C@@]5(C[C@](C(=O)OC)(C)CC[C@@]5(CC4)C)[H])=CCC3[C@]2(CC1)C)C)C)(C)C)[H] |
| SPLASH | splash10-03di-0090000000-97b3769ba04776ed83f6 |
| Source of Spectrum | E1-41-48-6 |
| Wiley ID | 1551836 |