| SpectraBase Spectrum ID |
22PS2TLCE4 |
| Name |
(1r,3r,5r,7r)-6-{[(6aR,9S,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-3-yl]methyl}-2-oxa-6-azatricyclo[3.3.1.1(3,7)]decane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H41NO6 |
| InChI |
InChI=1S/C28H41NO6/c1-28(2)24-6-5-20(32-15-30-3)13-23(24)27-25(33-16-31-4)7-17(8-26(27)35-28)14-29-18-9-21-11-19(29)12-22(10-18)34-21/h7-8,18-24H,5-6,9-16H2,1-4H3/t18-,19+,20-,21-,22+,23+,24+/m0/s1 |
| InChIKey |
UUTBWTBZNCJHNE-NPFHSBPPSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm100390h |
| Molecular Weight |
487.637 g/mol |
| Optical Rotation |
[a]D23 = -72.0o (c = 0.017, MeOH) |
| SMILES |
[C@@]1(C[C@@]2([C@@](CC1)(C(Oc1c2c(cc(c1)CN1[C@]2(C[C@]3(C[C@@]1(C[C@](O3)(C2)[H])[H])[H])[H])OCOC)(C)C)[H])[H])(OCOC)[H] |
| SPLASH |
splash10-014j-9740000000-70548eb26e7194162ffd |
| Source of Spectrum |
AF-53-SM12-44 |
| Wiley ID |
1846198 |
![(1r,3r,5r,7r)-6-{[(6aR,9S,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-3-yl]methyl}-2-oxa-6-azatricyclo[3.3.1.1(3,7)]decane](/api/spectrum/22PS2TLCE4/structure.png?h=300&w=458 "(1r,3r,5r,7r)-6-{[(6aR,9S,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-3-yl]methyl}-2-oxa-6-azatricyclo[3.3.1.1(3,7)]decane")
