| SpectraBase Compound ID | DDvMvEuaTGl |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20,23-27,30H,7-9,11-18H2,1-6H3/t20-,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | YYLFLRIUDMIWTD-MEKCMURWSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EydtBOYGbSq |
|---|---|
| Name | Stigmasta-5,24-dien-3-ol, (3.beta.)- |
| CAS Registry Number | 28949-66-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20,23-27,30H,7-9,11-18H2,1-6H3/t20-,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | YYLFLRIUDMIWTD-MEKCMURWSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | OC1CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCC(=C(C)C)CC)(C)[H])[H])[H])C)[H])C |
| SPLASH | splash10-03di-0092000000-e1cc4463a5d896617829 |
| Source of Spectrum | J-50-2030-17 |
| Synonyms | Stigmasta-5,24-dien-3.beta.-ol 24-Ethyl-24-dehydrocholesterol 5,24-Stigmastadienol Stigmasta-5,24(25)-dien-3.beta.-ol stigmasta-5,24-dien-3-ol (8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methyl-hept-5-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 1374800 |