![13,30-Cyclo-29-nor-Dammarano[4,3-c]pyran-Derivative](/api/spectrum/HSahspZNiVg/structure.png?h=300&w=458 "13,30-Cyclo-29-nor-Dammarano[4,3-c]pyran-Derivative")
| SpectraBase Compound ID | DH6CRdQQW7n |
|---|---|
| InChI | InChI=1S/C40H52O9/c1-34(44-5)17-40(48-19-34)32(42)31(33(43)49-40)24-9-13-39-18-38(24,39)12-10-28-35(2)11-8-23-15-26(22-6-7-25-27(14-22)47-21-46-25)45-20-36(23,3)29(35)16-30(41)37(28,39)4/h6-8,14,24,26,28-32,41-42H,9-13,15-21H2,1-5H3/t24-,26-,28+,29+,30+,31+,32+,34+,35+,36-,37-,38+,39+,40-/m0/s1 |
| InChIKey | MQFUFTKXYPLXSO-ZGMZVVKNSA-N |
| Mol Weight | 676.8 g/mol |
| Molecular Formula | C40H52O9 |
| Exact Mass | 676.361133 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HSahspZNiVg |
|---|---|
| Name | 13,30-Cyclo-29-nor-Dammarano[4,3-c]pyran-Derivative |
| Alternate Name(s) | Acutissima-triterpene E |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H52O9 |
| InChI | InChI=1S/C40H52O9/c1-34(44-5)17-40(48-19-34)32(42)31(33(43)49-40)24-9-13-39-18-38(24,39)12-10-28-35(2)11-8-23-15-26(22-6-7-25-27(14-22)47-21-46-25)45-20-36(23,3)29(35)16-30(41)37(28,39)4/h6-8,14,24,26,28-32,41-42H,9-13,15-21H2,1-5H3/t24-,26-,28+,29+,30+,31+,32+,34+,35+,36-,37-,38+,39+,40-/m0/s1 |
| InChIKey | MQFUFTKXYPLXSO-ZGMZVVKNSA-N |
| Molecular Weight | 676.847 g/mol |
| SMILES | O[C@]1([C@@]2(OC([C@@]1([C@]1([C@]34[C@]([C@@]5([C@@](C[C@@]6([C@@]([C@]5(CC4)[H])(CC=C4[C@@]6(CO[C@@](C4)(c4cc5c(OCO5)cc4)[H])C)C)[H])(O)[H])C)(CC1)C3)[H])[H])=O)C[C@](OC)(C)CO2)[H] |
| SPLASH | splash10-000b-0910011000-748a395700ff1de95fa7 |
| Source of Spectrum | G4-71-662-5 |
| Wiley ID | 1694928 |