| SpectraBase Spectrum ID |
3HeHEz7XAKo |
| Name |
(3aR,5R,5aR,8aS)-5-[(1R,2S,3R,4S)-3-(2,2-dimethylpropoxy)-1,7,7-trimethyl-norbornan-2-yl]oxy-7,7-dimethyl-1,2,3,3a,5,5a,6,8-octahydrocyclopenta[h]pentalen-4-one |
| Alternate Name(s) |
(3aR,5R,5aR,8aS)-5-[[(1S,2R,3S,4R)-2-(2,2-dimethylpropoxy)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]oxy]-7,7-dimethyl-1,2,3,3a,5,5a,6,8-octahydrocyclopenta[h]pentalen-4-one
(3aR,5R,5aR,8aS)-7,7-dimethyl-5-[(1R,2S,3R,4S)-1,7,7-trimethyl-3-neopentyloxy-norbornan-2-yl]oxy-1,2,3,3a,5,5a,6,8-octahydrocyclopenta[h]pentalen-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O3 |
| InChI |
InChI=1S/C28H46O3/c1-24(2,3)16-30-22-18-11-13-27(8,26(18,6)7)23(22)31-21-19-14-25(4,5)15-28(19)12-9-10-17(28)20(21)29/h17-19,21-23H,9-16H2,1-8H3/t17-,18+,19-,21+,22+,23+,27-,28+/m0/s1 |
| InChIKey |
LYGPQNLCOQEVDC-MDWDZHDCSA-N |
| Molecular Weight |
430.673 g/mol |
| SMILES |
[C@@]123[C@]([C@@](O[C@]4([C@]5(C(C)(C)[C@@]([C@]4(OCC(C)(C)C)[H])(CC5)[H])C)[H])(C([C@@]2(CCC3)[H])=O)[H])(CC(C1)(C)C)[H] |
| SPLASH |
splash10-00di-0090000000-a0b6d5a12ce4d28a4422 |
| Source of Spectrum |
J-62-4855-6 |
| Wiley ID |
1381791 |
![(3aR,5R,5aR,8aS)-5-[(1R,2S,3R,4S)-3-(2,2-dimethylpropoxy)-1,7,7-trimethyl-norbornan-2-yl]oxy-7,7-dimethyl-1,2,3,3a,5,5a,6,8-octahydrocyclopenta[h]pentalen-4-one](/api/spectrum/3HeHEz7XAKo/structure.png?h=300&w=458 "(3aR,5R,5aR,8aS)-5-[(1R,2S,3R,4S)-3-(2,2-dimethylpropoxy)-1,7,7-trimethyl-norbornan-2-yl]oxy-7,7-dimethyl-1,2,3,3a,5,5a,6,8-octahydrocyclopenta[h]pentalen-4-one")
