![8-[(5-CARBOXY-2,9-EPOXY)-BENZYL]-2,5-DIHYDROXY-1,1,4A,7,8-PENTAMETHYL-1,2,3,4,4A,6,7,8,9,19,10A-DODECAHYDROPHENANTHRENE](/api/spectrum/AtHNMFdwufa/structure.png?h=300&w=458 "8-[(5-CARBOXY-2,9-EPOXY)-BENZYL]-2,5-DIHYDROXY-1,1,4A,7,8-PENTAMETHYL-1,2,3,4,4A,6,7,8,9,19,10A-DODECAHYDROPHENANTHRENE")
| SpectraBase Compound ID | 6igBTwyTWO1 |
|---|---|
| InChI | InChI=1S/C27H36O5/c1-14-10-17(28)22-23-19(12-20-25(2,3)21(29)8-9-26(20,22)4)32-18-7-6-15(24(30)31)11-16(18)13-27(14,23)5/h6-7,11,14,17,19-21,28-29H,8-10,12-13H2,1-5H3,(H,30,31)/t14-,17+,19-,20-,21-,26-,27-/m1/s1 |
| InChIKey | MJJYRBWVKARFOM-FORJUWHVSA-N |
| Mol Weight | 440.6 g/mol |
| Molecular Formula | C27H36O5 |
| Exact Mass | 440.256274 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AtHNMFdwufa |
|---|---|
| Name | 8-[5'-(Hydroxycarbonyl)-2',9'-epoxybenzyl]-2,5-dihydroxy-1,1,4a,7,8-pentamethyl-(dodecahydro)-phenanthrene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H36O5 |
| InChI | InChI=1S/C27H36O5/c1-14-10-17(28)22-23-19(12-20-25(2,3)21(29)8-9-26(20,22)4)32-18-7-6-15(24(30)31)11-16(18)13-27(14,23)5/h6-7,11,14,17,19-21,28-29H,8-10,12-13H2,1-5H3,(H,30,31)/t14-,17+,19-,20-,21-,26-,27-/m1/s1 |
| InChIKey | MJJYRBWVKARFOM-FORJUWHVSA-N |
| Molecular Weight | 440.580 g/mol |
| SMILES | OC(c1cc2C[C@]3(C4=C([C@](C[C@]3(C)[H])(O)[H])[C@@]3(CC[C@](C([C@]3(C[C@]4(Oc2cc1)[H])[H])(C)C)(O)[H])C)C)=O |
| SPLASH | splash10-00dl-0593700000-1ef7caa642b5c76f9ceb |
| Source of Spectrum | G4-63-1285-1 |
| Wiley ID | 1608623 |