| SpectraBase Compound ID | El9TXuxe0w0 |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-25(2)21-13-18-30(8)23(28(21,6)16-14-24(25)31)10-9-22-27(5)15-11-19(26(3,4)32)20(27)12-17-29(22,30)7/h19-23,32H,9-18H2,1-8H3/t19-,20+,21+,22-,23-,27+,28+,29-,30-/m1/s1 |
| InChIKey | NVNUNRUPWXZKAL-PZTVRVKXSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K2o9obi5aoP |
|---|---|
| Name | Hydroxy - hopan - one |
| Alternate Name(s) | (3R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-3-(1-hydroxy-1-methyl-ethyl)-5a,5b,8,8,11a,13b-hexamethyl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one (3R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-3-(1-hydroxy-1-methylethyl)-5a,5b,8,8,11a,13b-hexamethylicosahydro-9H-cyclopenta[a]chrysen-9-one (3R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one (3R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-(2-oxidanylpropan-2-yl)-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one 21.beta.,22-hydroxy-3-hopanone (BAD NAME!) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-25(2)21-13-18-30(8)23(28(21,6)16-14-24(25)31)10-9-22-27(5)15-11-19(26(3,4)32)20(27)12-17-29(22,30)7/h19-23,32H,9-18H2,1-8H3/t19-,20+,21+,22-,23-,27+,28+,29-,30-/m1/s1 |
| InChIKey | NVNUNRUPWXZKAL-PZTVRVKXSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | OC([C@]1([C@@]2(CC[C@]3([C@]4([C@@]([C@]5(CCC(C([C@@]5(CC4)[H])(C)C)=O)C)(CC[C@@]3([C@]2(CC1)C)[H])[H])C)C)[H])[H])(C)C |
| SPLASH | splash10-052k-0921300000-afa31744f9942ec1c26a |
| Source of Spectrum | Va-0-0-0 |
| Wiley ID | 741338 |