| SpectraBase Compound ID | DJJ1NuEf5Vu |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-19-20(32)8-9-21-27(19,5)11-10-22-28(21,6)13-14-29(7)23-16-25(2,3)24(33)17-26(23,4)12-15-30(22,29)18-31/h19,21-24,31,33H,8-18H2,1-7H3/t19-,21+,22-,23+,24+,26-,27+,28-,29-,30-/m0/s1 |
| InChIKey | SQMGCOFTYBENRX-WNKAOFGTSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1Hv98hNT0MA |
|---|---|
| Name | (4R,4aS,6aS,6aS,6bS,8aS,10S,12aR,14aS,14bS)-10-hydroxy-4,4a,6a,8a,11,11,14a-heptamethyl-6b-methylol-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
| Alternate Name(s) | (4R,4aS,6aS,6aS,6bS,8aS,10S,12aR,14aS,14bS)-10-hydroxy-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one (4R,4aS,6aS,6aS,6bS,8aS,10S,12aR,14aS,14bS)-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-10-oxidanyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one (4R,4aS,6aS,6aS,6bS,8aS,10R,12aR,14aS,14bS)-10-hydroxy-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one (4R,4aS,6aS,6aS,6bS,8aS,10R,12aR,14aS,14bS)-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-10-oxidanyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-19-20(32)8-9-21-27(19,5)11-10-22-28(21,6)13-14-29(7)23-16-25(2,3)24(33)17-26(23,4)12-15-30(22,29)18-31/h19,21-24,31,33H,8-18H2,1-7H3/t19-,21+,22-,23+,24+,26-,27+,28-,29-,30-/m0/s1 |
| InChIKey | SQMGCOFTYBENRX-WNKAOFGTSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | O[C@@]1(C[C@]2([C@]([C@]3([C@](CO)(CC2)[C@]2(CC[C@]4([C@]([C@@]2(CC3)C)(CCC([C@@]4(C)[H])=O)[H])C)[H])C)(CC1(C)C)[H])C)[H] |
| SPLASH | splash10-0ab9-0190400000-dde02cd957757796c27d |
| Source of Spectrum | F-49-10404-1 |
| Wiley ID | 788697 |