| SpectraBase Spectrum ID |
HzWjAoEF0H |
| Name |
(6aR,9R,10aR)-1,9-dihydroxy-6,6-dimethyl-N-[(1r,3r,5r,7r)-adamantan-2-yl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carboxamide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H35NO4 |
| InChI |
InChI=1S/C26H35NO4/c1-26(2)20-4-3-18(28)12-19(20)23-21(29)10-17(11-22(23)31-26)25(30)27-24-15-6-13-5-14(8-15)9-16(24)7-13/h10-11,13-16,18-20,24,28-29H,3-9,12H2,1-2H3,(H,27,30)/t13-,14+,15-,16+,18-,19-,20-,24?/m1/s1 |
| InChIKey |
NDQQQISPNMHNTA-KIOWIXQLSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm100390h |
| Molecular Weight |
425.569 g/mol |
| Optical Rotation |
[a]D23 = -71.2o (c = 0.008, MeOH) |
| SMILES |
N(C1[C@]2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])[H])C(c1cc2OC([C@@]3(CC[C@](C[C@]3(c2c(c1)O)[H])(O)[H])[H])(C)C)=O |
| SPLASH |
splash10-0a4j-6910000000-3c115e6e2ba27c0f17f1 |
| Source of Spectrum |
AF-53-SM10-10 |
| Wiley ID |
1846184 |
![(6aR,9R,10aR)-1,9-dihydroxy-6,6-dimethyl-N-[(1r,3r,5r,7r)-adamantan-2-yl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carboxamide](/api/spectrum/HzWjAoEF0H/structure.png?h=300&w=458 "(6aR,9R,10aR)-1,9-dihydroxy-6,6-dimethyl-N-[(1r,3r,5r,7r)-adamantan-2-yl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carboxamide")
