| SpectraBase Compound ID | GFjvWI8t9rU |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-17(2)19-14-21(33)25-29(7)11-8-18-24(28(29,6)12-13-30(19,25)16-31)20(32)15-22-26(3,4)23(34)9-10-27(18,22)5/h8-10,17,19-22,24-25,31-33H,11-16H2,1-7H3/t19-,20-,21+,22-,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | LKBSFVITHXLCDA-MEKJSECDSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ISA9kiqAbcW |
|---|---|
| Name | 7.beta.,19.alpha.,28-trihydroxyarbor-1(2),9(11)-dien-3-one |
| Alternate Name(s) | Rubiarbonone E |
| Appearance | Colorless powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-17(2)19-14-21(33)25-29(7)11-8-18-24(28(29,6)12-13-30(19,25)16-31)20(32)15-22-26(3,4)23(34)9-10-27(18,22)5/h8-10,17,19-22,24-25,31-33H,11-16H2,1-7H3/t19-,20-,21+,22-,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | LKBSFVITHXLCDA-MEKJSECDSA-N |
| Instrument Name | VG 70-250S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020038k |
| Molecular Weight | 470.694 g/mol |
| Optical Rotation | [a]D = +233.4 (c = 0.03, MeOH) |
| Reported Formula | C30H46O4 |
| SMILES | O[C@]1([C@]2([C@@](CC[C@@]3([C@@]2(CC=C2[C@]3([C@](C[C@]3(C(C(C=C[C@]23C)=O)(C)C)[H])(O)[H])[H])C)C)([C@@](C1)(C(C)C)[H])CO)[H])[H] |
| SPLASH | splash10-1000-2620900000-16e640891d0bc97dc314 |
| Source of Spectrum | G4-65-1286-5 |
| Wiley ID | 1883849 |