| SpectraBase Compound ID | 4KnrfAZENp9 |
|---|---|
| InChI | InChI=1S/C28H36O12/c1-11(25(3,4)36)7-16(30)40-19-21-27-10-38-28(21,24(35)37-6)22(33)18(32)20(27)26(5)9-14(29)17(31)12(2)13(26)8-15(27)39-23(19)34/h7,13,15,18-22,31-33,36H,8-10H2,1-6H3/b11-7-/t13-,15+,18+,19+,20+,21+,22-,26-,27+,28-/m0/s1 |
| InChIKey | KCVFVYXSNLKEHU-GCYJJSSNSA-N |
| Mol Weight | 564.6 g/mol |
| Molecular Formula | C28H36O12 |
| Exact Mass | 564.220677 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HaS68MpYmX1 |
|---|---|
| Name | Brucein C |
| CAS Registry Number | 25514-30-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H36O12 |
| InChI | InChI=1S/C28H36O12/c1-11(25(3,4)36)7-16(30)40-19-21-27-10-38-28(21,24(35)37-6)22(33)18(32)20(27)26(5)9-14(29)17(31)12(2)13(26)8-15(27)39-23(19)34/h7,13,15,18-22,31-33,36H,8-10H2,1-6H3/b11-7-/t13-,15+,18+,19+,20+,21+,22-,26-,27+,28-/m0/s1 |
| InChIKey | KCVFVYXSNLKEHU-GCYJJSSNSA-N |
| Molecular Weight | 564.584 g/mol |
| SMILES | OC(\C(=C/C(O[C@]1(C(O[C@]2([C@]34[C@@]1([C@@]([C@]([C@@]([C@@]4([C@@]1([C@](C(=C(C(C1)=O)O)C)(C2)[H])C)[H])(O)[H])(O)[H])(OC3)C(=O)OC)[H])[H])=O)[H])=O)C)(C)C |
| SPLASH | splash10-004i-0900000000-4418625fb2f78b87b937 |
| Source of Spectrum | KO-8-363-0 |
| Synonyms | 2H-3,11c-(epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acidderiv. 2H-3,11c.beta.- (epoxymethano)phenanthro[10,1-bc]pyran-3.alpha.(1H)-carboxylic acid, 3a,4,5,6a.beta.,7,7a.alpha.,10,11,11a,11b.alpha.-decahydro-1.beta.,2.alpha.,4.beta., 9-tetrahydroxy-8,11a.beta.-dimethyl-5,10-dioxo-, methyl ester, 4-(4-hydroxy-3,4-dimethyl-2-pentenoate) Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[(4-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, methyl ester, [11.beta.,12.alpha.,15.beta.(E)]- Bruceantin-4'-ol Bruceine C Methyl 15,16-dihydroxy-3-{[(2E)-4-hydroxy-3,4-dimethyl-2-pentenoyl]oxy}-9,13-dimethyl-4,10,11-trioxo-5,18-dioxapentacyclo[12.5.0.0(1,6).0(2,17).0(8,13)]nonadecane-17-carboxylate NSC 305730 |
| Wiley ID | 1407099 |