| SpectraBase Compound ID | J0Wkb5YCMPW |
|---|---|
| InChI | InChI=1S/C31H48O2/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/h9-12,19-21,23,25-29H,8,13-18H2,1-7H3/b10-9+ |
| InChIKey | PIBRNDGPZOOJJQ-MDZDMXLPSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C31H48O2 |
| Exact Mass | 452.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4EQ9GQZRWC |
|---|---|
| Name | (22E)-Stigmasta-4,6,22-trien-3-yl acetate |
| CAS Registry Number | 96737-71-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O2 |
| InChI | InChI=1S/C31H48O2/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/h9-12,19-21,23,25-29H,8,13-18H2,1-7H3/b10-9+ |
| InChIKey | PIBRNDGPZOOJJQ-MDZDMXLPSA-N |
| Molecular Weight | 452.723 g/mol |
| SMILES | CCC(\C=C\C(C)C1CCC2C3C=CC4=CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C |
| SPLASH | splash10-0536-9500100000-deca15d06174adfd80fb |
| Source of Spectrum | W5-1989-38400-27136 |
| Synonyms | 3.beta.-Acetoxystigmasta-4,6,22-triene Acetic acid [17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1388420 |