| SpectraBase Compound ID | IDJ2JyqkAI9 |
|---|---|
| InChI | InChI=1S/C29H46O/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/h8-11,18-21,23-27,30H,7,12-17H2,1-6H3/b9-8+ |
| InChIKey | CJPJTYGDAZLMNV-CMDGGOBGSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C29H46O |
| Exact Mass | 410.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AbL7VB4v4Cb |
|---|---|
| Name | (22E)-Stigmasta-4,6,22-trien-3-ol |
| CAS Registry Number | 96737-58-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O |
| InChI | InChI=1S/C29H46O/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/h8-11,18-21,23-27,30H,7,12-17H2,1-6H3/b9-8+ |
| InChIKey | CJPJTYGDAZLMNV-CMDGGOBGSA-N |
| Molecular Weight | 410.686 g/mol |
| SMILES | OC1C=C2C=CC3C4CCC(C(\C=C\C(CC)C(C)C)C)C4(CCC3C2(CC1)C)C |
| SPLASH | splash10-08gl-9400300000-67d0d92abaa4137eb5d4 |
| Source of Spectrum | W5-1989-38394-27142 |
| Synonyms | 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-ol 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-ol Stigmasta-4,6,22-trien-3.alpha.-ol Stigmasta-4,6,22-trien-3.beta.-ol |
| Wiley ID | 1373932 |