| SpectraBase Compound ID | BlmMHAGRkRA |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-19(2)22-9-11-25-28(7)14-12-23(21(5)8-10-24(31)20(3)4)27(28,6)16-17-30(25)18-29(22,30)15-13-26(32)33/h21-25,31H,1,3,8-18H2,2,4-7H3,(H,32,33)/t21?,22-,23+,24?,25-,27+,28-,29+,30-/m0/s1 |
| InChIKey | AAYWYJTVGMRGJT-NJLGOABYSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LuJtXjktiFp |
|---|---|
| Name | Coccinetane F |
| Alternate Name(s) | 3-((1R,3aS,3bS,6S,9aR)-1-[(1R)-4-hydroxy-1,5-dimethyl-5-hexenyl]-6-isopropenyl-3a,9a-dimethyldecahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-6a(7H)-yl)propanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-19(2)22-9-11-25-28(7)14-12-23(21(5)8-10-24(31)20(3)4)27(28,6)16-17-30(25)18-29(22,30)15-13-26(32)33/h21-25,31H,1,3,8-18H2,2,4-7H3,(H,32,33)/t21?,22-,23+,24?,25-,27+,28-,29+,30-/m0/s1 |
| InChIKey | AAYWYJTVGMRGJT-NJLGOABYSA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | OC(CCC([C@]1(CC[C@]2([C@]3([C@]4([C@@](CCC(=O)O)([C@@](CC3)(C(=C)C)[H])C4)CC[C@]12C)[H])C)[H])C)C(=C)C |
| SPLASH | splash10-00fs-4924700000-a08835b00495617c2cc8 |
| Source of Spectrum | F-55-128-6 |
| Wiley ID | 836512 |