| SpectraBase Spectrum ID |
1JUlWPkaRiy |
| Name |
(1R,7Z,11S,12R)-1-isopropyl-4,7,11-trimethyl-5,6-didehydro-2,9,10,12-tetrahydro-1H-benzo[10]annulene-11,12-diol |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-13(2)16-11-9-15(4)17-10-8-14(3)7-6-12-20(5,22)19(21)18(16)17/h7,9,13,16,19,21-22H,6,11-12H2,1-5H3/b14-7-/t16-,19-,20+/m1/s1 |
| InChIKey |
JTEMAVSHEJXBBQ-AESQIFRLSA-N |
| Instrument Name |
Agilent 6890 and Finnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.14.222 |
| Molecular Weight |
300.442 g/mol |
| Optical Rotation |
[a]D25 = -5.0 (c = 1.4, CHCl3) |
| Reported Formula |
C20H28O2 |
| SMILES |
O[C@@]1([C@@](C=2[C@](CC=C(C2C#C\C(=C/CC1)C)C)(C(C)C)[H])(O)[H])C |
| SPLASH |
splash10-056u-2930000000-b27310877e4e7c0c73a8 |
| Source of Spectrum |
BJO-14-SM7-18 |
| Thin-Layer Chromatography |
Rf = 0.17 (hexane/iPrOH, 25:1) |
| Wiley ID |
1845722 |
![(1R,7Z,11S,12R)-1-isopropyl-4,7,11-trimethyl-5,6-didehydro-2,9,10,12-tetrahydro-1H-benzo[10]annulene-11,12-diol](/api/spectrum/1JUlWPkaRiy/structure.png?h=300&w=458 "(1R,7Z,11S,12R)-1-isopropyl-4,7,11-trimethyl-5,6-didehydro-2,9,10,12-tetrahydro-1H-benzo[10]annulene-11,12-diol")
