| SpectraBase Compound ID | F9lTyzsWMzI |
|---|---|
| InChI | InChI=1S/C30H52/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h20-25H,9-19H2,1-8H3/t21-,22?,23?,24?,25?,27+,28+,29-,30-/m1/s1 |
| InChIKey | ZRLNBWWGLOPJIC-ROQFMIEXSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C30H52 |
| Exact Mass | 412.406902 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JAOD07wDQrb |
|---|---|
| Name | Hopane |
| CAS Registry Number | 471-62-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52 |
| InChI | InChI=1S/C30H52/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h20-25H,9-19H2,1-8H3/t21-,22?,23?,24?,25?,27+,28+,29-,30-/m1/s1 |
| InChIKey | ZRLNBWWGLOPJIC-ROQFMIEXSA-N |
| Molecular Weight | 412.746 g/mol |
| SMILES | [C@@]12([C@]3(C([C@]4(CC[C@@](C4CC3)(C(C)C)[H])C)CCC1[C@]1(CCCC(C1CC2)(C)C)C)C)C |
| SPLASH | splash10-0006-0903200000-ae2b2f7a6802f8be6332 |
| Source of Spectrum | E1-40-1684-0 |
| Synonyms | 21.alpha.H-Hopane (3R,5aR,5bR,11aS,13bS)-3-isopropyl-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 (3R,5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene A'-neogammacerane |
| Wiley ID | 1519438 |