| SpectraBase Compound ID | BdtV2F22Mtn |
|---|---|
| InChI | InChI=1S/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22-,23+,24+,27-,28-,29+,30+/m0/s1 |
| InChIKey | PNJBOAVCVAVRGR-UDCAXGDQSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C30H52O |
| Exact Mass | 428.401816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IzFS8dkbRJN |
|---|---|
| Name | 22-Hydroxyhopane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O |
| InChI | InChI=1S/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22-,23+,24+,27-,28-,29+,30+/m0/s1 |
| InChIKey | PNJBOAVCVAVRGR-UDCAXGDQSA-N |
| Molecular Weight | 428.745 g/mol |
| SMILES | OC([C@@]1([C@@]2(CC[C@]3([C@]4([C@@]([C@@]5([C@](C(CCC5)(C)C)(CC4)[H])C)(CC[C@@]3([C@]2(CC1)C)[H])[H])C)C)[H])[H])(C)C |
| SPLASH | splash10-05mw-4901000000-b346b3ffbeab7f25e604 |
| Source of Spectrum | X4-28-324-0 |
| Synonyms | Hopan-22-ol 2-[(3S,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]chrysen-3-yl]-2-propanol 2-[(3S,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]chrysen-3-yl]propan-2-ol |
| Wiley ID | 1586472 |