| SpectraBase Spectrum ID |
5JTKcuuXGS |
| Name |
(6aR,9S,10aR)-1,9-dihydroxy-6,6-dimethyl-N-[(1s,3R,5S,7s)-adamantan-1-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/c1-25(2)20-4-3-18(28)10-19(20)23-21(29)8-17(9-22(23)31-25)24(30)27-26-11-14-5-15(12-26)7-16(6-14)13-26/h8-9,14-16,18-20,28-29H,3-7,10-13H2,1-2H3,(H,27,30)/t14?,15?,16?,18-,19+,20+,26?/m0/s1 |
| InChIKey |
OSQRZXJNNIYCQD-CJXGPQQQSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm100390h |
| Molecular Weight |
425.569 g/mol |
| Optical Rotation |
[a]D23 = -77.4o (c = 0.011, MeOH) |
| SMILES |
N(C12CC3CC(CC(C3)C1)C2)C(c1cc2OC([C@@]3(CC[C@@](C[C@]3(c2c(c1)O)[H])(O)[H])[H])(C)C)=O |
| SPLASH |
splash10-0pbc-1900000000-e9dabcd19f87c6beec76 |
| Source of Spectrum |
AF-53-SM11-11 |
| Wiley ID |
1846185 |
![(6aR,9S,10aR)-1,9-dihydroxy-6,6-dimethyl-N-[(1s,3R,5S,7s)-adamantan-1-yl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carboxamide](/api/spectrum/5JTKcuuXGS/structure.png?h=300&w=458 "(6aR,9S,10aR)-1,9-dihydroxy-6,6-dimethyl-N-[(1s,3R,5S,7s)-adamantan-1-yl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carboxamide")
