| SpectraBase Compound ID | L8Iv0NE7jCV |
|---|---|
| InChI | InChI=1S/C21H32O8/c1-10-5-4-6-21(3)13(10)7-12(11(2)19(26)27)8-15(21)29-20-18(25)17(24)16(23)14(9-22)28-20/h7,10,12,14-18,20,22-25H,2,4-6,8-9H2,1,3H3,(H,26,27)/t10-,12-,14-,15-,16-,17+,18-,20?,21+/m0/s1 |
| InChIKey | XYLGTYVCSSAKTM-VVLGLFOOSA-N |
| Mol Weight | 412.5 g/mol |
| Molecular Formula | C21H32O8 |
| Exact Mass | 412.209718 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7nEvxuh9YLk |
|---|---|
| Name | Pterodontoside B |
| Alternate Name(s) | 9.beta.-(.beta.-D-Glucopyranosyloxy)-4.alpha.-H-Eudesma-5,11(13)-dien-12-oic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O8 |
| InChI | InChI=1S/C21H32O8/c1-10-5-4-6-21(3)13(10)7-12(11(2)19(26)27)8-15(21)29-20-18(25)17(24)16(23)14(9-22)28-20/h7,10,12,14-18,20,22-25H,2,4-6,8-9H2,1,3H3,(H,26,27)/t10-,12-,14-,15-,16-,17+,18-,20?,21+/m0/s1 |
| InChIKey | XYLGTYVCSSAKTM-VVLGLFOOSA-N |
| Molecular Weight | 412.479 g/mol |
| SMILES | O[C@@]1([C@]([C@@](OC([C@]1(O)[H])O[C@@]1([C@]2(C(=C[C@](C(C(=O)O)=C)(C1)[H])[C@](CCC2)(C)[H])C)[H])(CO)[H])(O)[H])[H] |
| SPLASH | splash10-0a4i-4950000000-a3f53f81eca083cc9da3 |
| Source of Spectrum | G4-60-548-5 |
| Wiley ID | 1606738 |