| SpectraBase Compound ID | IJNbT0g8JsV |
|---|---|
| InChI | InChI=1S/C30H48O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h9-10,19-20,22-24,26-27H,8,11-18H2,1-7H3/b10-9+ |
| InChIKey | NMWREDUBRPCHTR-MDZDMXLPSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C30H48O |
| Exact Mass | 424.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6hEteCPtwQ9 |
|---|---|
| Name | Stigmasta-4,22-dien-3-one, 4-methyl-, (22E,24R)- |
| CAS Registry Number | 56312-54-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h9-10,19-20,22-24,26-27H,8,11-18H2,1-7H3/b10-9+ |
| InChIKey | NMWREDUBRPCHTR-MDZDMXLPSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | CCC(\C=C\C(C)C1CCC2C3CCC4=C(C)C(=O)CCC4(C)C3CCC12C)C(C)C |
| SPLASH | splash10-00ea-6942100000-9ff7af13a622c62d214e |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | (22E)-4-Methylstigmasta-4,22-dien-3-one 17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-4,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-4,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Stigmasta-4,22-dien-3-one, 4-methyl- |
| Wiley ID | 1379518 |