| SpectraBase Spectrum ID |
99Y2cRx4Pcm |
| Name |
(6aS,9S,10aR)-6a,7,8,9,10,10a-hexahydro-1,9-bis(methoxymethoxy)-6,6-dimethyl-6H-benzo[c]chromene-3-carbonitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H27NO5 |
| InChI |
InChI=1S/C20H27NO5/c1-20(2)16-6-5-14(24-11-22-3)9-15(16)19-17(25-12-23-4)7-13(10-21)8-18(19)26-20/h7-8,14-16H,5-6,9,11-12H2,1-4H3/t14-,15+,16+/m0/s1 |
| InChIKey |
POACQLFYXIHYSY-ARFHVFGLSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm100390h |
| Molecular Weight |
361.438 g/mol |
| Optical Rotation |
[a]D23 = -85.0o (c = 0.009, CH2Cl2) |
| SMILES |
C1[C@@](C[C@@]2([C@@](C1)(C(Oc1c2c(cc(c1)C#N)OCOC)(C)C)[H])[H])(OCOC)[H] |
| SPLASH |
splash10-0bt9-1090000000-29f98302eebabac6f4fd |
| Source of Spectrum |
AF-53-SM4-32 |
| Wiley ID |
1846190 |
![(6aS,9S,10aR)-6a,7,8,9,10,10a-hexahydro-1,9-bis(methoxymethoxy)-6,6-dimethyl-6H-benzo[c]chromene-3-carbonitrile](/api/spectrum/99Y2cRx4Pcm/structure.png?h=300&w=458 "(6aS,9S,10aR)-6a,7,8,9,10,10a-hexahydro-1,9-bis(methoxymethoxy)-6,6-dimethyl-6H-benzo[c]chromene-3-carbonitrile")
