| SpectraBase Compound ID | CnTYQWivCOf |
|---|---|
| InChI | InChI=1S/C29H40O5/c1-16(2)18-7-9-25(21(30)31)12-13-26-19(20(18)25)8-10-28(33-22(26)32)24(26,6)11-14-27-23(4,5)15-17(3)29(27,28)34-27/h17-20H,1,7-15H2,2-6H3,(H,30,31)/t17-,18-,19+,20+,24-,25-,26+,27+,28+,29-/m0/s1 |
| InChIKey | SNCMVKNGLNUISS-GCWSBASFSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C29H40O5 |
| Exact Mass | 468.287574 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DLB3S6zovTj |
|---|---|
| Name | 5.alpha.,10.alpha.-epoxy-9.alpha.,27.alpha.-lactone-25(10->2.alpha.)abeoA(1)-norlup-20(29)-en-28-oic acid |
| Appearance | White amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H40O5 |
| InChI | InChI=1S/C29H40O5/c1-16(2)18-7-9-25(21(30)31)12-13-26-19(20(18)25)8-10-28(33-22(26)32)24(26,6)11-14-27-23(4,5)15-17(3)29(27,28)34-27/h17-20H,1,7-15H2,2-6H3,(H,30,31)/t17-,18-,19+,20+,24-,25-,26+,27+,28+,29-/m0/s1 |
| InChIKey | SNCMVKNGLNUISS-GCWSBASFSA-N |
| Instrument Name | Finnigan Trace DSQ |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np2000914 |
| Molecular Weight | 468.634 g/mol |
| Optical Rotation | [a]D18 = -39.0 (c = 0.82, CH3Cl) |
| Reported Formula | C29H40O5 |
| SMILES | OC([C@]12[C@@]([C@]3(CC[C@@]45[C@]([C@@]3(CC1)C(O5)=O)(CC[C@@]13[C@]4([C@](CC3(C)C)(C)[H])O1)C)[H])([C@@](CC2)(C(C)=C)[H])[H])=O |
| SPLASH | splash10-00di-0900000000-abfd0637746f04c58db2 |
| Source of Spectrum | G4-74-1166-1 |
| Synonyms | Breynceanothanolic acid |
| Wiley ID | 1849114 |