![(3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene](/api/spectrum/FEOlO65THFz/structure.png?h=300&w=458 "(3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene")
| SpectraBase Compound ID | 4mnCgmMzLAp |
|---|---|
| InChI | InChI=1S/C27H46/c1-23(2)14-8-16-25(4)20(23)13-18-27(6)22(25)11-10-21-24(3)15-7-9-19(24)12-17-26(21,27)5/h19-22H,7-18H2,1-6H3/t19-,20-,21+,22+,24-,25-,26+,27+/m0/s1 |
| InChIKey | WPKYQECPNNWDJY-VKTCPCIPSA-N |
| Mol Weight | 370.7 g/mol |
| Molecular Formula | C27H46 |
| Exact Mass | 370.359951 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FEOlO65THFz |
|---|---|
| Name | (3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene |
| CAS Registry Number | 53584-59-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46 |
| InChI | InChI=1S/C27H46/c1-23(2)14-8-16-25(4)20(23)13-18-27(6)22(25)11-10-21-24(3)15-7-9-19(24)12-17-26(21,27)5/h19-22H,7-18H2,1-6H3/t19-,20-,21+,22+,24-,25-,26+,27+/m0/s1 |
| InChIKey | WPKYQECPNNWDJY-VKTCPCIPSA-N |
| Molecular Weight | 370.665 g/mol |
| SMILES | [C@@]12([C@]3([C@]([C@]4(CCC[C@]4(CC3)[H])C)([H])CC[C@@]1([C@]1(CCCC([C@@]1(CC2)[H])(C)C)C)[H])C)C |
| SPLASH | splash10-0006-0902000000-ce03866bd48e7b1b508a |
| Source of Spectrum | AC-1977-169-0 |
| Wiley ID | 1354773 |