| SpectraBase Compound ID | IQ7j6C48d8t |
|---|---|
| InChI | InChI=1S/C30H46O5/c1-25(2)20-9-12-29(6)21(27(20,4)11-10-22(25)31)8-7-18-19-17-26(3,23(32)33)13-15-30(19,24(34)35)16-14-28(18,29)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20-,21+,22-,26+,27-,28+,29+,30-/m0/s1 |
| InChIKey | MCHKKYSPJGWAHQ-PGUYSIQDSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C30H46O5 |
| Exact Mass | 486.334525 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8BVyxfVrALU |
|---|---|
| Name | Serratagenic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O5 |
| InChI | InChI=1S/C30H46O5/c1-25(2)20-9-12-29(6)21(27(20,4)11-10-22(25)31)8-7-18-19-17-26(3,23(32)33)13-15-30(19,24(34)35)16-14-28(18,29)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20-,21+,22-,26+,27-,28+,29+,30-/m0/s1 |
| InChIKey | MCHKKYSPJGWAHQ-PGUYSIQDSA-N |
| Molecular Weight | 486.693 g/mol |
| SMILES | OC([C@]1(C[C@]2(C=3[C@@](CC[C@@]2(C(=O)O)CC1)([C@@]1(CC[C@]2(C([C@](CC[C@@]2([C@]1(CC3)[H])C)(O)[H])(C)C)[H])C)C)[H])C)=O |
| SPLASH | splash10-004i-0090000000-fcf211fbf84c48037463 |
| Source of Spectrum | E1-38-944-4 |
| Synonyms | (2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid (2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,6a,6b,9,9,12a-hexamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid |
| Wiley ID | 1518275 |