| SpectraBase Compound ID | 9mxK1B4Ojyx |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+ |
| InChIKey | IZEUIYYDWBKERE-MDZDMXLPSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9lgKyAViC2F |
|---|---|
| Name | Stigmasta-5,22-dien-3-ol, acetate, (3.beta.)- |
| CAS Registry Number | 4651-48-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+ |
| InChIKey | IZEUIYYDWBKERE-MDZDMXLPSA-N |
| Molecular Weight | 454.739 g/mol |
| SMILES | CC12C3C(C4C(C)(C(C(\C=C\C(C(C)C)CC)C)CC4)CC3)CC=C1CC(OC(C)=O)CC2 |
| SPLASH | splash10-0a4l-0097000000-6d6475ee75f2739c9e8e |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | Stigmasta-5,22-dien-3-ol, acetate, (3.beta.,22Z)- 3.beta.-Acetoxystigmasta-5,22-diene Stigmasta-5,22-dien-3-yl acetate Stigmasta-5,22-dien-3.beta.-ol, acetate Stigmasterol acetate Stigmasteryl acetate Acetic acid [17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate EINECS 225-082-7 |
| Wiley ID | 742793 |