| SpectraBase Compound ID | KjNFzpehNPn |
|---|---|
| InChI | InChI=1S/C28H46O/c1-19(2)21-11-13-24-25(21,4)14-16-27(6)23-12-10-20(3)22(9-8-18-29)26(23,5)15-17-28(24,27)7/h18-19,21-24H,3,8-17H2,1-2,4-7H3/t21-,22-,23?,24?,25-,26+,27-,28+/m1/s1 |
| InChIKey | BYHNDWHKOIUCBE-ZTHJNGINSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LLN9P12eVKV |
|---|---|
| Name | 4,23-Binor-3,4-secofific-5(24)-en-3-al |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/c1-19(2)21-11-13-24-25(21,4)14-16-27(6)23-12-10-20(3)22(9-8-18-29)26(23,5)15-17-28(24,27)7/h18-19,21-24H,3,8-17H2,1-2,4-7H3/t21-,22-,23?,24?,25-,26+,27-,28+/m1/s1 |
| InChIKey | BYHNDWHKOIUCBE-ZTHJNGINSA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | [C@]12([C@@](C3CCC([C@]([C@@]3(CC2)C)(CCC=O)[H])=C)(CC[C@]2(C1CC[C@@]2(C(C)C)[H])C)C)C |
| SPLASH | splash10-0abc-0292000000-5f99c39848be96061947 |
| Source of Spectrum | E1-45-1610-1 |
| Synonyms | 4,23-Bisnor-3,4-secofilic-5(24)-en-3-al 3-[(4R,5S,8S,9R,13R,17R)-5,8,9,13-tetramethyl-3-methylene-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]propanal 3-[(4R,5S,8S,9R,13R,17R)-17-isopropyl-5,8,9,13-tetramethyl-3-methylene-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]propanal 3-[(4R,5S,8S,9R,13R,17R)-5,8,9,13-tetramethyl-3-methylidene-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]propanal |
| Wiley ID | 1554058 |