| SpectraBase Compound ID | 1NxgSP5JABy |
|---|---|
| InChI | InChI=1S/C29H48/c1-19(2)21-10-9-20-13-17-28(6)22(25(20)21)11-12-24-27(5)16-8-15-26(3,4)23(27)14-18-29(24,28)7/h13,19,21-25H,8-12,14-18H2,1-7H3/t21-,22-,23-,24+,25-,27-,28+,29+/m0/s1 |
| InChIKey | AVTGQJYGWNWEOR-LWEDJEFBSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C29H48 |
| Exact Mass | 396.375602 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6VrBxycT78L |
|---|---|
| Name | 28-Norlup-16-ene |
| CAS Registry Number | 53767-47-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48 |
| InChI | InChI=1S/C29H48/c1-19(2)21-10-9-20-13-17-28(6)22(25(20)21)11-12-24-27(5)16-8-15-26(3,4)23(27)14-18-29(24,28)7/h13,19,21-25H,8-12,14-18H2,1-7H3/t21-,22-,23-,24+,25-,27-,28+,29+/m0/s1 |
| InChIKey | AVTGQJYGWNWEOR-LWEDJEFBSA-N |
| Molecular Weight | 396.703 g/mol |
| SMILES | [C@]12([C@]3([C@]([C@]4(CCCC([C@@]4(CC3)[H])(C)C)C)([H])CC[C@]2([C@@]2([C@@](CCC2=CC1)(C(C)C)[H])[H])[H])C)C |
| SPLASH | splash10-000m-0933000000-f615e3a153dd16de7177 |
| Source of Spectrum | B-29-2708-1 |
| Synonyms | (1S,5aR,5bR,7aS,11aS,11bR,13aS,13bS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene 1H-Cyclopenta[a]chrysene, 28-norlup-16-ene deriv. |
| Wiley ID | 1367813 |